1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone

C18H13N3O — CID 21020290

IUPAC1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
SMILESCC(=O)c1cccc2ccc(-n3cnc4ccccc43)nc12
InChIInChI=1S/C18H13N3O/c1-12(22)14-6-4-5-13-9-10-17(20-18(13)14)21-11-19-15-7-2-3-8-16(15)21/h2-11H,1H3
InChIKeyCQSRHLKZARFDSQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.78
Rot. Bonds2

About 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone

1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone (PubChem CID 21020290) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
PubChem CID21020290
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
SMILESCC(=O)c1cccc2ccc(-n3cnc4ccccc43)nc12
InChIInChI=1S/C18H13N3O/c1-12(22)14-6-4-5-13-9-10-17(20-18(13)14)21-11-19-15-7-2-3-8-16(15)21/h2-11H,1H3
InChIKeyCQSRHLKZARFDSQ-UHFFFAOYSA-N
XLogP3.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1,10-phenanthroline
CID 90688679
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
CID 21020314
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
CID 15549640
4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
CID 70928974
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 154781024
2-(benzimidazol-1-yl)-3-ethynylbenzoic acid
CID 122584935
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
5-acetyl-1-methylquinoxalin-2-one
CID 141436972

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone?
The IUPAC name of 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone (CID 21020290) is 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone is CC(=O)c1cccc2ccc(-n3cnc4ccccc43)nc12.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone?
The InChIKey is CQSRHLKZARFDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-12(22)14-6-4-5-13-9-10-17(20-18(13)14)21-11-19-15-7-2-3-8-16(15)21/h2-11H,1H3.
What are the key properties of 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone?
1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone is sourced from PubChem (CID 21020290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).