2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone

C15H13N3O — CID 105098775

IUPAC2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cn2cnc3ccccc32)cn1
InChIInChI=1S/C15H13N3O/c1-11-6-7-12(8-16-11)15(19)9-18-10-17-13-4-2-3-5-14(13)18/h2-8,10H,9H2,1H3
InChIKeyINARZPZFETVYSG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.62
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone

2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 105098775) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID105098775
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cn2cnc3ccccc32)cn1
InChIInChI=1S/C15H13N3O/c1-11-6-7-12(8-16-11)15(19)9-18-10-17-13-4-2-3-5-14(13)18/h2-8,10H,9H2,1H3
InChIKeyINARZPZFETVYSG-UHFFFAOYSA-N
XLogP2.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 127047625
4-(benzimidazol-1-yl)-3-oxobutanenitrile
CID 162370725
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105146117
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
O-methyl 2-(benzimidazol-1-yl)ethanethioate
CID 88781568
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone (CID 105098775) is 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)Cn2cnc3ccccc32)cn1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is INARZPZFETVYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-6-7-12(8-16-11)15(19)9-18-10-17-13-4-2-3-5-14(13)18/h2-8,10H,9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone?
2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 251.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105098775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).