1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one

C23H13Cl2N3O4S — CID 42792233

IUPAC1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
SMILESO=C(c1ccc(Cl)c(Cl)c1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C23H13Cl2N3O4S/c24-16-11-10-15(13-17(16)25)22(29)27-18-7-1-2-8-19(18)28(23(27)30)33(31,32)20-9-3-5-14-6-4-12-26-21(14)20/h1-13H
InChIKeyQZZWSGCDRWGZSN-UHFFFAOYSA-N
MW498.35 g/mol
LogP4.58
Rot. Bonds3

About 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one

1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one (PubChem CID 42792233) has the molecular formula C23H13Cl2N3O4S and a molecular weight of 498.35 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
PubChem CID42792233
Molecular FormulaC23H13Cl2N3O4S
Molecular Weight498.35 g/mol
Exact Mass497.00
IUPAC Name1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
SMILESO=C(c1ccc(Cl)c(Cl)c1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C23H13Cl2N3O4S/c24-16-11-10-15(13-17(16)25)22(29)27-18-7-1-2-8-19(18)28(23(27)30)33(31,32)20-9-3-5-14-6-4-12-26-21(14)20/h1-13H
InChIKeyQZZWSGCDRWGZSN-UHFFFAOYSA-N
XLogP4.58
TPSA91.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792211
1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one
CID 42792223
1-(2-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792234
1-(4-pentylbenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792238
1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792229
1-dodecanoyl-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 4210945
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
N-benzhydryl-1-(3-chlorobenzoyl)-4-quinolin-8-ylsulfonylpiperazine-2-carboxamide
CID 67012608
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one (CID 42792233) is 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one is O=C(c1ccc(Cl)c(Cl)c1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The InChIKey is QZZWSGCDRWGZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O4S/c24-16-11-10-15(13-17(16)25)22(29)27-18-7-1-2-8-19(18)28(23(27)30)33(31,32)20-9-3-5-14-6-4-12-26-21(14)20/h1-13H.
What are the key properties of 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one has a molecular weight of 498.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one is sourced from PubChem (CID 42792233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).