1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone

C15H11N3O2 — CID 19256635

IUPAC1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccccc2n1C(=O)c1cccnc1
InChIInChI=1S/C15H11N3O2/c1-10(19)14-17-12-6-2-3-7-13(12)18(14)15(20)11-5-4-8-16-9-11/h2-9H,1H3
InChIKeyMXIPBTJDVXXTBV-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.32
Rot. Bonds2

About 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone

1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone (PubChem CID 19256635) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone
PubChem CID19256635
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccccc2n1C(=O)c1cccnc1
InChIInChI=1S/C15H11N3O2/c1-10(19)14-17-12-6-2-3-7-13(12)18(14)15(20)11-5-4-8-16-9-11/h2-9H,1H3
InChIKeyMXIPBTJDVXXTBV-UHFFFAOYSA-N
XLogP2.32
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
CID 74890600
[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
CID 19256672
1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
CID 23945501
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one
CID 19256735
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone
CID 19256724
formonitrile;1-pyridin-3-ylethanone
CID 174750729
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
CID 19256624
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
4-[2-(2-acetylbenzimidazol-1-yl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 19256731
[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate
CID 23582949

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone (CID 19256635) is 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone is CC(=O)c1nc2ccccc2n1C(=O)c1cccnc1.
What is the InChIKey of 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone?
The InChIKey is MXIPBTJDVXXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-10(19)14-17-12-6-2-3-7-13(12)18(14)15(20)11-5-4-8-16-9-11/h2-9H,1H3.
What are the key properties of 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone?
1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone has a molecular weight of 265.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone is sourced from PubChem (CID 19256635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).