1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone

C15H18N2O — CID 79753193

IUPAC1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2CCC2)nc2ccccc21
InChIInChI=1S/C15H18N2O/c1-2-17-13-9-4-3-8-12(13)16-15(17)10-14(18)11-6-5-7-11/h3-4,8-9,11H,2,5-7,10H2,1H3
InChIKeyTWDVKSTZMABLPW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.97
Rot. Bonds4

About 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone

1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 79753193) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID79753193
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2CCC2)nc2ccccc21
InChIInChI=1S/C15H18N2O/c1-2-17-13-9-4-3-8-12(13)16-15(17)10-14(18)11-6-5-7-11/h3-4,8-9,11H,2,5-7,10H2,1H3
InChIKeyTWDVKSTZMABLPW-UHFFFAOYSA-N
XLogP2.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116580009
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 79753193) is 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)C2CCC2)nc2ccccc21.
What is the InChIKey of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is TWDVKSTZMABLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-17-13-9-4-3-8-12(13)16-15(17)10-14(18)11-6-5-7-11/h3-4,8-9,11H,2,5-7,10H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 79753193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).