[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone

C20H14N2O — CID 90027627

IUPAC[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H14N2O/c23-20(14-6-2-1-3-7-14)17-9-5-4-8-16(17)15-10-11-18-19(12-15)22-13-21-18/h1-13H,(H,21,22)
InChIKeyWDPMWZVBCUPAEL-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.46
Rot. Bonds3

About [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone

[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone (PubChem CID 90027627) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
PubChem CID90027627
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H14N2O/c23-20(14-6-2-1-3-7-14)17-9-5-4-8-16(17)15-10-11-18-19(12-15)22-13-21-18/h1-13H,(H,21,22)
InChIKeyWDPMWZVBCUPAEL-UHFFFAOYSA-N
XLogP4.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3H-benzimidazol-5-yl)phenol
CID 162260962
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
CID 175532985
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
3-(3H-benzimidazol-5-yl)-5-fluoro-4-(1-hydroxyethyl)benzoic acid
CID 171064427
3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
CID 171064601
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 50963824

Frequently Asked Questions

What is the IUPAC name of [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone (CID 90027627) is [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1-c1ccc2nc[nH]c2c1.
What is the InChIKey of [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone?
The InChIKey is WDPMWZVBCUPAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20(14-6-2-1-3-7-14)17-9-5-4-8-16(17)15-10-11-18-19(12-15)22-13-21-18/h1-13H,(H,21,22).
What are the key properties of [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone?
[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone has a molecular weight of 298.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 90027627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).