1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one

C17H22N2O4S — CID 42792179

IUPAC1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one
SMILESCCS(=O)(=O)n1c(=O)n(C(=O)CCC2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O4S/c1-2-24(22,23)19-15-10-6-5-9-14(15)18(17(19)21)16(20)12-11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyOWWTWMKGFQMGMF-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one

1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one (PubChem CID 42792179) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one
PubChem CID42792179
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one
SMILESCCS(=O)(=O)n1c(=O)n(C(=O)CCC2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O4S/c1-2-24(22,23)19-15-10-6-5-9-14(15)18(17(19)21)16(20)12-11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyOWWTWMKGFQMGMF-UHFFFAOYSA-N
XLogP2.61
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
CID 7226489
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
3-cyclohexyl-1-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 60538780
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
CID 47108856
1-butanoyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 45276977
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one?
The IUPAC name of 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one (CID 42792179) is 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one.
What is the SMILES notation for 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one?
The canonical SMILES for 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one is CCS(=O)(=O)n1c(=O)n(C(=O)CCC2CCCC2)c2ccccc21.
What is the InChIKey of 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one?
The InChIKey is OWWTWMKGFQMGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-24(22,23)19-15-10-6-5-9-14(15)18(17(19)21)16(20)12-11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one?
1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one has a molecular weight of 350.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one is sourced from PubChem (CID 42792179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).