3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one

C24H31N3O5S — CID 15229039

IUPAC3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one
SMILESCCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2S(=O)(=O)c1ccc(N(C)C)cc1OC
InChIInChI=1S/C24H31N3O5S/c1-5-32-19-12-13-20-21(16-19)26(17-9-7-6-8-10-17)24(28)27(20)33(29,30)23-14-11-18(25(2)3)15-22(23)31-4/h11-17H,5-10H2,1-4H3
InChIKeyFAGOUGQTKPEFMF-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.02
Rot. Bonds7

About 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one

3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one (PubChem CID 15229039) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one
PubChem CID15229039
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one
SMILESCCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2S(=O)(=O)c1ccc(N(C)C)cc1OC
InChIInChI=1S/C24H31N3O5S/c1-5-32-19-12-13-20-21(16-19)26(17-9-7-6-8-10-17)24(28)27(20)33(29,30)23-14-11-18(25(2)3)15-22(23)31-4/h11-17H,5-10H2,1-4H3
InChIKeyFAGOUGQTKPEFMF-UHFFFAOYSA-N
XLogP4.02
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate
CID 23364263
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1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
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1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one
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1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
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1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one?
The IUPAC name of 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one (CID 15229039) is 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one is CCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2S(=O)(=O)c1ccc(N(C)C)cc1OC.
What is the InChIKey of 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one?
The InChIKey is FAGOUGQTKPEFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-5-32-19-12-13-20-21(16-19)26(17-9-7-6-8-10-17)24(28)27(20)33(29,30)23-14-11-18(25(2)3)15-22(23)31-4/h11-17H,5-10H2,1-4H3.
What are the key properties of 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one?
3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one has a molecular weight of 473.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one is sourced from PubChem (CID 15229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).