1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole

C23H28N2O2S — CID 11589337

IUPAC1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCC1CCCCC1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N2O2S/c1-18-15-16-22-21(17-18)24-23(14-8-11-19-9-4-2-5-10-19)25(22)28(26,27)20-12-6-3-7-13-20/h3,6-7,12-13,15-17,19H,2,4-5,8-11,14H2,1H3
InChIKeyRQOYGUQSVPVNAY-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.48
Rot. Bonds6

About 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole

1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole (PubChem CID 11589337) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole
PubChem CID11589337
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCC1CCCCC1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N2O2S/c1-18-15-16-22-21(17-18)24-23(14-8-11-19-9-4-2-5-10-19)25(22)28(26,27)20-12-6-3-7-13-20/h3,6-7,12-13,15-17,19H,2,4-5,8-11,14H2,1H3
InChIKeyRQOYGUQSVPVNAY-UHFFFAOYSA-N
XLogP5.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(isocyanomethyl)-5-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 158778730
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
1-(4-methylphenyl)sulfonyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzimidazole
CID 7391300
3-[1-(benzenesulfonyl)-5-methylpyrrolo[3,2-b]pyridin-2-yl]propanoic acid
CID 68678775
2-(1-chloroethyl)-1-(2-cyclohexylethyl)-5-methylbenzimidazole
CID 63545213
2-[2-[5,6-difluoro-1-(3-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 141108311
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 11846350
3-[1-(benzenesulfonyl)-5-methylindol-2-yl]propanoic acid
CID 68677465
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
CID 11166194

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole (CID 11589337) is 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCC1CCCCC1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole?
The InChIKey is RQOYGUQSVPVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-18-15-16-22-21(17-18)24-23(14-8-11-19-9-4-2-5-10-19)25(22)28(26,27)20-12-6-3-7-13-20/h3,6-7,12-13,15-17,19H,2,4-5,8-11,14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole?
1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole has a molecular weight of 396.56 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(3-cyclohexylpropyl)-5-methylbenzimidazole is sourced from PubChem (CID 11589337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).