1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one

C17H22N2O2 — CID 104751301

IUPAC1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CC(=O)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-2-11-18-14-9-5-6-10-15(14)19(17(18)21)12-16(20)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyKJCIXNYMIVLDKH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one

1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one (PubChem CID 104751301) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
PubChem CID104751301
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CC(=O)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-2-11-18-14-9-5-6-10-15(14)19(17(18)21)12-16(20)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyKJCIXNYMIVLDKH-UHFFFAOYSA-N
XLogP2.97
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 94175663
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 32590164
1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one
CID 79577144
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
CID 166363302
N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 46603243
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 39999738
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 37032041

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one?
The IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one (CID 104751301) is 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CC(=O)C2CCCC2)c2ccccc21.
What is the InChIKey of 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one?
The InChIKey is KJCIXNYMIVLDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-11-18-14-9-5-6-10-15(14)19(17(18)21)12-16(20)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one?
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one is sourced from PubChem (CID 104751301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).