2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole

C27H25ClF2N2S — CID 141258345

IUPAC2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole
SMILESFc1cc2nc(-c3ccc(Cl)cc3)n(C(CSc3ccccc3)C3CCCCC3)c2cc1F
InChIInChI=1S/C27H25ClF2N2S/c28-20-13-11-19(12-14-20)27-31-24-15-22(29)23(30)16-25(24)32(27)26(18-7-3-1-4-8-18)17-33-21-9-5-2-6-10-21/h2,5-6,9-16,18,26H,1,3-4,7-8,17H2
InChIKeyYFTBJKMBQXNSRJ-UHFFFAOYSA-N
MW483.03 g/mol
LogP8.55
Rot. Bonds6

About 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole

2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole (PubChem CID 141258345) has the molecular formula C27H25ClF2N2S and a molecular weight of 483.03 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole
PubChem CID141258345
Molecular FormulaC27H25ClF2N2S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC Name2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole
SMILESFc1cc2nc(-c3ccc(Cl)cc3)n(C(CSc3ccccc3)C3CCCCC3)c2cc1F
InChIInChI=1S/C27H25ClF2N2S/c28-20-13-11-19(12-14-20)27-31-24-15-22(29)23(30)16-25(24)32(27)26(18-7-3-1-4-8-18)17-33-21-9-5-2-6-10-21/h2,5-6,9-16,18,26H,1,3-4,7-8,17H2
InChIKeyYFTBJKMBQXNSRJ-UHFFFAOYSA-N
XLogP8.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole 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 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole (CID 141258345) is 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole is Fc1cc2nc(-c3ccc(Cl)cc3)n(C(CSc3ccccc3)C3CCCCC3)c2cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole?
The InChIKey is YFTBJKMBQXNSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N2S/c28-20-13-11-19(12-14-20)27-31-24-15-22(29)23(30)16-25(24)32(27)26(18-7-3-1-4-8-18)17-33-21-9-5-2-6-10-21/h2,5-6,9-16,18,26H,1,3-4,7-8,17H2.
What are the key properties of 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole?
2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole has a molecular weight of 483.03 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole is sourced from PubChem (CID 141258345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).