1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one

C23H14FN3O4S — CID 42792211

IUPAC1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C23H14FN3O4S/c24-17-12-10-16(11-13-17)22(28)26-18-7-1-2-8-19(18)27(23(26)29)32(30,31)20-9-3-5-15-6-4-14-25-21(15)20/h1-14H
InChIKeyKFZCIDSYLLAVRD-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.42
Rot. Bonds3

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

1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one (PubChem CID 42792211) has the molecular formula C23H14FN3O4S and a molecular weight of 447.45 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
PubChem CID42792211
Molecular FormulaC23H14FN3O4S
Molecular Weight447.45 g/mol
Exact Mass447.07
IUPAC Name1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C23H14FN3O4S/c24-17-12-10-16(11-13-17)22(28)26-18-7-1-2-8-19(18)27(23(26)29)32(30,31)20-9-3-5-15-6-4-14-25-21(15)20/h1-14H
InChIKeyKFZCIDSYLLAVRD-UHFFFAOYSA-N
XLogP3.42
TPSA91.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792233
1-(2-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792234
1-(4-pentylbenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792238
1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one
CID 42792223
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-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
CID 2738249
8-piperidin-1-ylsulfonylquinoline
CID 768759
2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147366
N-[4-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634993
2-[bis(4-fluorophenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-one
CID 91602279

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The IUPAC name of 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one (CID 42792211) is 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one is O=C(c1ccc(F)cc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21.
What is the InChIKey of 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
The InChIKey is KFZCIDSYLLAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O4S/c24-17-12-10-16(11-13-17)22(28)26-18-7-1-2-8-19(18)27(23(26)29)32(30,31)20-9-3-5-15-6-4-14-25-21(15)20/h1-14H.
What are the key properties of 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one?
1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one has a molecular weight of 447.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one is sourced from PubChem (CID 42792211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).