bis(2-phenyl-3H-benzimidazol-5-yl)methanone

C27H18N4O — CID 174583837

IUPACbis(2-phenyl-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C27H18N4O/c32-25(19-11-13-21-23(15-19)30-26(28-21)17-7-3-1-4-8-17)20-12-14-22-24(16-20)31-27(29-22)18-9-5-2-6-10-18/h1-16H,(H,28,30)(H,29,31)
InChIKeyWUPSDSHIRSYBSR-UHFFFAOYSA-N
MW414.47 g/mol
LogP6.00
Rot. Bonds4

About bis(2-phenyl-3H-benzimidazol-5-yl)methanone

bis(2-phenyl-3H-benzimidazol-5-yl)methanone (PubChem CID 174583837) has the molecular formula C27H18N4O and a molecular weight of 414.47 g/mol. Its IUPAC name is bis(2-phenyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Namebis(2-phenyl-3H-benzimidazol-5-yl)methanone
PubChem CID174583837
Molecular FormulaC27H18N4O
Molecular Weight414.47 g/mol
Exact Mass414.15
IUPAC Namebis(2-phenyl-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C27H18N4O/c32-25(19-11-13-21-23(15-19)30-26(28-21)17-7-3-1-4-8-17)20-12-14-22-24(16-20)31-27(29-22)18-9-5-2-6-10-18/h1-16H,(H,28,30)(H,29,31)
InChIKeyWUPSDSHIRSYBSR-UHFFFAOYSA-N
XLogP6.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 1231005
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 122387688
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096

Frequently Asked Questions

What is the IUPAC name of bis(2-phenyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of bis(2-phenyl-3H-benzimidazol-5-yl)methanone (CID 174583837) is bis(2-phenyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for bis(2-phenyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for bis(2-phenyl-3H-benzimidazol-5-yl)methanone is O=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of bis(2-phenyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is WUPSDSHIRSYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O/c32-25(19-11-13-21-23(15-19)30-26(28-21)17-7-3-1-4-8-17)20-12-14-22-24(16-20)31-27(29-22)18-9-5-2-6-10-18/h1-16H,(H,28,30)(H,29,31).
What are the key properties of bis(2-phenyl-3H-benzimidazol-5-yl)methanone?
bis(2-phenyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 414.47 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 174583837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).