1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone

C15H18N2O — CID 79753927

IUPAC1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)C2CCCC2)nc2ccccc21
InChIInChI=1S/C15H18N2O/c1-17-13-9-5-4-8-12(13)16-15(17)10-14(18)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyBGLGKQGMVABKEH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.88
Rot. Bonds3

About 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone

1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 79753927) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID79753927
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)C2CCCC2)nc2ccccc21
InChIInChI=1S/C15H18N2O/c1-17-13-9-5-4-8-12(13)16-15(17)10-14(18)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyBGLGKQGMVABKEH-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79755685
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116575970
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone (CID 79753927) is 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone is Cn1c(CC(=O)C2CCCC2)nc2ccccc21.
What is the InChIKey of 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is BGLGKQGMVABKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-13-9-5-4-8-12(13)16-15(17)10-14(18)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3.
What are the key properties of 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone?
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 79753927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).