N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide

C22H18ClN3O — CID 3820061

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)24-14-21-25-19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyARNVCCCCJQCVJT-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.67
Rot. Bonds5

About N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide

N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide (PubChem CID 3820061) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
PubChem CID3820061
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)24-14-21-25-19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyARNVCCCCJQCVJT-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 42810755

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide (CID 3820061) is N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide is O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide?
The InChIKey is ARNVCCCCJQCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)24-14-21-25-19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27).
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide?
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide has a molecular weight of 375.86 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide is sourced from PubChem (CID 3820061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).