[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone

C20H15N3O — CID 166359596

IUPAC[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone
SMILESCc1nc2ccc(-c3ccc(C(=O)c4cccnc4)cc3)cc2[nH]1
InChIInChI=1S/C20H15N3O/c1-13-22-18-9-8-16(11-19(18)23-13)14-4-6-15(7-5-14)20(24)17-3-2-10-21-12-17/h2-12H,1H3,(H,22,23)
InChIKeyJXUMCDVYWFUZCT-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.16
Rot. Bonds3

About [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone

[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone (PubChem CID 166359596) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone
PubChem CID166359596
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone
SMILESCc1nc2ccc(-c3ccc(C(=O)c4cccnc4)cc3)cc2[nH]1
InChIInChI=1S/C20H15N3O/c1-13-22-18-9-8-16(11-19(18)23-13)14-4-6-15(7-5-14)20(24)17-3-2-10-21-12-17/h2-12H,1H3,(H,22,23)
InChIKeyJXUMCDVYWFUZCT-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
CID 167764140
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
CID 66554718
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone (CID 166359596) is [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone is Cc1nc2ccc(-c3ccc(C(=O)c4cccnc4)cc3)cc2[nH]1.
What is the InChIKey of [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is JXUMCDVYWFUZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-13-22-18-9-8-16(11-19(18)23-13)14-4-6-15(7-5-14)20(24)17-3-2-10-21-12-17/h2-12H,1H3,(H,22,23).
What are the key properties of [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone?
[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone has a molecular weight of 313.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 166359596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).