1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one

C28H22N2O4S — CID 3687459

IUPAC1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one
SMILESCc1ccccc1S(=O)(=O)n1c(=O)n(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H22N2O4S/c1-20-12-8-11-19-25(20)35(33,34)30-24-18-10-9-17-23(24)29(28(30)32)27(31)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-19,26H,1H3
InChIKeyHKSHVFRRAHVVCZ-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.82
Rot. Bonds5

About 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one

1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one (PubChem CID 3687459) has the molecular formula C28H22N2O4S and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one
PubChem CID3687459
Molecular FormulaC28H22N2O4S
Molecular Weight482.56 g/mol
Exact Mass482.13
IUPAC Name1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one
SMILESCc1ccccc1S(=O)(=O)n1c(=O)n(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H22N2O4S/c1-20-12-8-11-19-25(20)35(33,34)30-24-18-10-9-17-23(24)29(28(30)32)27(31)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-19,26H,1H3
InChIKeyHKSHVFRRAHVVCZ-UHFFFAOYSA-N
XLogP4.82
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 102076870
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CID 562883
1-(2-methylphenyl)sulfonylaziridine
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1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
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CID 87469588
[(2S)-2-hydroxy-2-phenylethyl] 2-methylbenzenesulfonate
CID 141255681
4-(2-methylphenyl)sulfonyl-4-phenylbutan-2-one
CID 5340250
1-(2-methylphenyl)sulfonylindole
CID 53400635
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
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CID 112627615

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one?
The IUPAC name of 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one (CID 3687459) is 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one.
What is the SMILES notation for 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one?
The canonical SMILES for 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one is Cc1ccccc1S(=O)(=O)n1c(=O)n(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one?
The InChIKey is HKSHVFRRAHVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4S/c1-20-12-8-11-19-25(20)35(33,34)30-24-18-10-9-17-23(24)29(28(30)32)27(31)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-19,26H,1H3.
What are the key properties of 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one?
1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one has a molecular weight of 482.56 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylacetyl)-3-(2-methylphenyl)sulfonylbenzimidazol-2-one is sourced from PubChem (CID 3687459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).