2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone

C21H16N2O2 — CID 157296298

IUPAC2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(CO)c1ccc2nc(-c3cccc(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C21H16N2O2/c24-13-20(25)16-9-10-18-19(12-16)23-21(22-18)17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12,24H,13H2,(H,22,23)
InChIKeyBBJQMCMNPHOZEG-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.07
Rot. Bonds4

About 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone

2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 157296298) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID157296298
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(CO)c1ccc2nc(-c3cccc(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C21H16N2O2/c24-13-20(25)16-9-10-18-19(12-16)23-21(22-18)17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12,24H,13H2,(H,22,23)
InChIKeyBBJQMCMNPHOZEG-UHFFFAOYSA-N
XLogP4.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158696276
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158401557
1-[2-[5-(3-chlorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 153264729
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 157232904
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone (CID 157296298) is 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone is O=C(CO)c1ccc2nc(-c3cccc(-c4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is BBJQMCMNPHOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-13-20(25)16-9-10-18-19(12-16)23-21(22-18)17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12,24H,13H2,(H,22,23).
What are the key properties of 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone?
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 328.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 157296298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).