N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide

C16H14ClN3O — CID 867624

IUPACN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-11(21)18-16-19-14-4-2-3-5-15(14)20(16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyWKUZVZWTTQNJEO-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.70
Rot. Bonds3

About N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide

N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide (PubChem CID 867624) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
PubChem CID867624
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-11(21)18-16-19-14-4-2-3-5-15(14)20(16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyWKUZVZWTTQNJEO-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
methyl 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 43814545
N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
CID 19577208
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
1-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 175104008
N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
CID 5085536
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide (CID 867624) is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
The InChIKey is WKUZVZWTTQNJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11(21)18-16-19-14-4-2-3-5-15(14)20(16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,19,21).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 867624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).