2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide

C22H18ClN3O — CID 43890007

IUPAC2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
SMILESCc1ccc2nc(C(NC(=O)c3ccccc3Cl)c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18ClN3O/c1-14-11-12-18-19(13-14)25-21(24-18)20(15-7-3-2-4-8-15)26-22(27)16-9-5-6-10-17(16)23/h2-13,20H,1H3,(H,24,25)(H,26,27)
InChIKeyUCZZKZQVKWLWAO-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.04
Rot. Bonds4

About 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide

2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 43890007) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID43890007
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
SMILESCc1ccc2nc(C(NC(=O)c3ccccc3Cl)c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18ClN3O/c1-14-11-12-18-19(13-14)25-21(24-18)20(15-7-3-2-4-8-15)26-22(27)16-9-5-6-10-17(16)23/h2-13,20H,1H3,(H,24,25)(H,26,27)
InChIKeyUCZZKZQVKWLWAO-UHFFFAOYSA-N
XLogP5.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide
CID 1476306
2-chloro-N-[2-(6-methyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121407231
3-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890147
4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144
N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide
CID 43890046
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide (CID 43890007) is 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide is Cc1ccc2nc(C(NC(=O)c3ccccc3Cl)c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is UCZZKZQVKWLWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-11-12-18-19(13-14)25-21(24-18)20(15-7-3-2-4-8-15)26-22(27)16-9-5-6-10-17(16)23/h2-13,20H,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide?
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 375.86 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 43890007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).