1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one

C17H22N2O2 — CID 79577144

IUPAC1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCC2CCCC2=O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-2-11-18-14-7-3-4-8-15(14)19(17(18)21)12-10-13-6-5-9-16(13)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeyPIZQETPKRCQPIX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds5

About 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one

1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one (PubChem CID 79577144) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one
PubChem CID79577144
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCC2CCCC2=O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-2-11-18-14-7-3-4-8-15(14)19(17(18)21)12-10-13-6-5-9-16(13)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeyPIZQETPKRCQPIX-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

1-Isopropyl-3-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-acetyl]-1,3-dihydro-benzoimidazol-2-one
CID 44283512
1-(1-(cyclohexanecarbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 17396226
N-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]-N-phenylacetamide
CID 2852030
1-(2-Ethylbutanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
CID 45277133
1-(4-Methylpentanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
CID 45277134
1-(3-Phenylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
CID 45277295
1-[2-[3-(3-Cyclopentylpropanoyl)-2-oxobenzimidazol-1-yl]ethyl]pyrrolidine-2,5-dione
CID 172436489
1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-3-methylbenzimidazol-2-one
CID 68091737
1-(1-(cyclopentanecarbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 17393222
1,3-diisopentyl-1H-benzo[d]imidazol-2(3H)-one
CID 23728513
1-Methyl-3-phenacylbenzimidazolone
CID 60708815
1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 25559968

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one?
The IUPAC name of 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one (CID 79577144) is 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CCC2CCCC2=O)c2ccccc21.
What is the InChIKey of 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one?
The InChIKey is PIZQETPKRCQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-11-18-14-7-3-4-8-15(14)19(17(18)21)12-10-13-6-5-9-16(13)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one?
1-[2-(2-oxocyclopentyl)ethyl]-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-(2-oxocyclopentyl)ethyl]-3-propylbenzimidazol-2-one is sourced from PubChem (CID 79577144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).