1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

C19H14N2O5S — CID 8593806

IUPAC1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)c3cc4ccccc4o3)c2=O)cc1
InChIInChI=1S/C19H14N2O5S/c1-13-6-8-15(9-7-13)27(24,25)21-11-10-20(19(21)23)18(22)17-12-14-4-2-3-5-16(14)26-17/h2-12H,1H3
InChIKeyNXPTYZTWKSNAGQ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.63
Rot. Bonds3

About 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (PubChem CID 8593806) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
PubChem CID8593806
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)c3cc4ccccc4o3)c2=O)cc1
InChIInChI=1S/C19H14N2O5S/c1-13-6-8-15(9-7-13)27(24,25)21-11-10-20(19(21)23)18(22)17-12-14-4-2-3-5-16(14)26-17/h2-12H,1H3
InChIKeyNXPTYZTWKSNAGQ-UHFFFAOYSA-N
XLogP2.63
TPSA91.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
CID 8594078
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one
CID 177371968
(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112527679
1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797958

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (CID 8593806) is 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(C(=O)c3cc4ccccc4o3)c2=O)cc1.
What is the InChIKey of 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The InChIKey is NXPTYZTWKSNAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c1-13-6-8-15(9-7-13)27(24,25)21-11-10-20(19(21)23)18(22)17-12-14-4-2-3-5-16(14)26-17/h2-12H,1H3.
What are the key properties of 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one has a molecular weight of 382.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).