2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

C16H14ClN3O — CID 17007407

IUPAC2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-14-9-5-4-8-13(14)19-15(20)10-18-16(21)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKGCPHWBOZUFRSE-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17007407) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17007407
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-14-9-5-4-8-13(14)19-15(20)10-18-16(21)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKGCPHWBOZUFRSE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-4-nitrobenzamide
CID 78810406
3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 55572437
5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
CID 47010120
2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007545
1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55583303
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (CID 17007407) is 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is KGCPHWBOZUFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-14-9-5-4-8-13(14)19-15(20)10-18-16(21)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 299.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17007407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).