1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one

C19H20N2O4S — CID 7226489

IUPAC1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
SMILESCCCCC(=O)n1c(=O)n(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H20N2O4S/c1-3-4-9-18(22)20-16-7-5-6-8-17(16)21(19(20)23)26(24,25)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyJCQVBXAQFGBVNL-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one

1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one (PubChem CID 7226489) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
PubChem CID7226489
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
SMILESCCCCC(=O)n1c(=O)n(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H20N2O4S/c1-3-4-9-18(22)20-16-7-5-6-8-17(16)21(19(20)23)26(24,25)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyJCQVBXAQFGBVNL-UHFFFAOYSA-N
XLogP3.18
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-3-(4-chlorophenyl)sulfonylbenzimidazol-2-one
CID 4667921
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610
N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide
CID 3687458
(4-methylphenyl)sulfonyl pentanoate;hydrate
CID 89388838
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
1-(3-cyclopentylpropanoyl)-3-ethylsulfonylbenzimidazol-2-one
CID 42792179
1-(3-acetyl-2-sulfanylidenebenzimidazol-1-yl)hexan-1-one
CID 54769395
3-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]propanal
CID 101417591
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 132918897
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
CID 42792947

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one (CID 7226489) is 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one is CCCCC(=O)n1c(=O)n(S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one?
The InChIKey is JCQVBXAQFGBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-4-9-18(22)20-16-7-5-6-8-17(16)21(19(20)23)26(24,25)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one?
1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one has a molecular weight of 372.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one is sourced from PubChem (CID 7226489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).