AG68116
636574-35-1 | Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG68116
ChemicalName
Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate
CasNumber
636574-35-1
MolecularFormula
C10H9ClN2O2
MolecularWeight
224.64365999999998
MdlNumber
MFCD17214274
Smiles
COC(=O)c1cccc2c1[nH]c(n2)CCl
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AG68116
ChemicalName: Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate
CasNumber: 636574-35-1
MolecularFormula: C10H9ClN2O2
MolecularWeight: 224.64365999999998
MdlNumber: MFCD17214274
Smiles: COC(=O)c1cccc2c1[nH]c(n2)CCl
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AG68116
ChemicalName:
Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate
CasNumber:
636574-35-1
MolecularFormula:
C10H9ClN2O2
MolecularWeight:
224.64365999999998
MdlNumber:
MFCD17214274
Smiles:
COC(=O)c1cccc2c1[nH]c(n2)CCl
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AG68117
ChemicalName: N-Acetyl 4-bromo-3,5-dimethylaniline
CasNumber: 64835-48-9
MolecularFormula: C10H12BrNO
MolecularWeight: 242.1124
MdlNumber: MFCD03931824
Smiles: CC(=O)Nc1cc(C)c(c(c1)C)Br
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AG68117
ChemicalName:
N-Acetyl 4-bromo-3,5-dimethylaniline
CasNumber:
64835-48-9
MolecularFormula:
C10H12BrNO
MolecularWeight:
242.1124
MdlNumber:
MFCD03931824
Smiles:
CC(=O)Nc1cc(C)c(c(c1)C)Br
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(ccc1N1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity: 483
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(ccc1N1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity:
483
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AG68122
ChemicalName: 1-Methylpyrrole-2-carboxamide
CasNumber: 64230-41-7
MolecularFormula: C6H8N2O
MolecularWeight: 124.1405
MdlNumber: MFCD03654144
Smiles: NC(=O)c1cccn1C
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AG68122
ChemicalName:
1-Methylpyrrole-2-carboxamide
CasNumber:
64230-41-7
MolecularFormula:
C6H8N2O
MolecularWeight:
124.1405
MdlNumber:
MFCD03654144
Smiles:
NC(=O)c1cccn1C
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1