1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole

C15H13FN2O2S — CID 755179

IUPAC1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(S(=O)(=O)c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C15H13FN2O2S/c1-10-7-14-15(8-11(10)2)18(9-17-14)21(19,20)13-5-3-12(16)4-6-13/h3-9H,1-2H3
InChIKeyCZCPLLBAMJPPHV-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 755179) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID755179
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(S(=O)(=O)c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C15H13FN2O2S/c1-10-7-14-15(8-11(10)2)18(9-17-14)21(19,20)13-5-3-12(16)4-6-13/h3-9H,1-2H3
InChIKeyCZCPLLBAMJPPHV-UHFFFAOYSA-N
XLogP3.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 755179) is 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole is Cc1cc2ncn(S(=O)(=O)c3ccc(F)cc3)c2cc1C.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is CZCPLLBAMJPPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-10-7-14-15(8-11(10)2)18(9-17-14)21(19,20)13-5-3-12(16)4-6-13/h3-9H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole has a molecular weight of 304.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 755179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).