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

C17H22N2O — CID 115782680

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
SMILESCCn1c(CC(=O)C2(C)CCCC2)nc2ccccc21
InChIInChI=1S/C17H22N2O/c1-3-19-14-9-5-4-8-13(14)18-16(19)12-15(20)17(2)10-6-7-11-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyUKJHTINRJIBARP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.75
Rot. Bonds4

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

2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone (PubChem CID 115782680) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
PubChem CID115782680
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
SMILESCCn1c(CC(=O)C2(C)CCCC2)nc2ccccc21
InChIInChI=1S/C17H22N2O/c1-3-19-14-9-5-4-8-13(14)18-16(19)12-15(20)17(2)10-6-7-11-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyUKJHTINRJIBARP-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 116570155
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116579710
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone (CID 115782680) is 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone is CCn1c(CC(=O)C2(C)CCCC2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone?
The InChIKey is UKJHTINRJIBARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19-14-9-5-4-8-13(14)18-16(19)12-15(20)17(2)10-6-7-11-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone?
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone is sourced from PubChem (CID 115782680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).