1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone

C22H18N2O — CID 71512806

IUPAC1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C22H18N2O/c1-16(25)19-12-13-21-20(14-19)23-22(18-10-6-3-7-11-18)24(21)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyWZNJKCCMCJVSJA-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.95
Rot. Bonds4

About 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone

1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone (PubChem CID 71512806) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
PubChem CID71512806
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C22H18N2O/c1-16(25)19-12-13-21-20(14-19)23-22(18-10-6-3-7-11-18)24(21)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyWZNJKCCMCJVSJA-UHFFFAOYSA-N
XLogP4.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
2-[3-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 15503234
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethanone
CID 10444910
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
4-[(2-phenylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148129
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
CID 122192066
3-[[1-benzyl-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid;hydrochloride
CID 19921117

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone (CID 71512806) is 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone?
The InChIKey is WZNJKCCMCJVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16(25)19-12-13-21-20(14-19)23-22(18-10-6-3-7-11-18)24(21)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3.
What are the key properties of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone?
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 71512806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).