1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one

C24H17N3O5S — CID 42792229

IUPAC1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
SMILESO=C(COc1ccccc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C24H17N3O5S/c28-22(16-32-18-10-2-1-3-11-18)26-19-12-4-5-13-20(19)27(24(26)29)33(30,31)21-14-6-8-17-9-7-15-25-23(17)21/h1-15H,16H2
InChIKeyWUOUYKYIMFLVFO-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one

1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one (PubChem CID 42792229) has the molecular formula C24H17N3O5S and a molecular weight of 459.48 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
PubChem CID42792229
Molecular FormulaC24H17N3O5S
Molecular Weight459.48 g/mol
Exact Mass459.09
IUPAC Name1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
SMILESO=C(COc1ccccc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C24H17N3O5S/c28-22(16-32-18-10-2-1-3-11-18)26-19-12-4-5-13-20(19)27(24(26)29)33(30,31)21-14-6-8-17-9-7-15-25-23(17)21/h1-15H,16H2
InChIKeyWUOUYKYIMFLVFO-UHFFFAOYSA-N
XLogP3.31
TPSA100.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-dodecanoyl-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 4210945
1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one
CID 42792223
1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792211
1-(2-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792234
1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792233
1-(4-pentylbenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792238
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
8-piperidin-1-ylsulfonylquinoline
CID 768759
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The IUPAC name of 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one (CID 42792229) is 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one.
What is the SMILES notation for 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The canonical SMILES for 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one is O=C(COc1ccccc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21.
What is the InChIKey of 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The InChIKey is WUOUYKYIMFLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5S/c28-22(16-32-18-10-2-1-3-11-18)26-19-12-4-5-13-20(19)27(24(26)29)33(30,31)21-14-6-8-17-9-7-15-25-23(17)21/h1-15H,16H2.
What are the key properties of 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one has a molecular weight of 459.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one is sourced from PubChem (CID 42792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).