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

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Related Compounds

2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol
CID 66619310
4-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethyl]amino]benzoic acid
CID 66619283
4-[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethoxy]-3-fluorobenzoic acid
CID 46183723
2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide
CID 141238102
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
CID 66619313
N-[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethyl]-4-(2H-tetrazol-5-yl)aniline
CID 46183253
methyl (2R)-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetate
CID 66619490
[4-[3-cyclohexyl-3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propyl]benzoyl] 4-[3-cyclohexyl-3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propyl]benzoate
CID 91451650
methyl 2-[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethoxy]pyridine-4-carboxylate
CID 66619243
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide
CID 66619256
2-(4-chlorophenyl)-1-[1-cyclohexyl-2-methyl-2-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-5,6-difluorobenzimidazole
CID 46185716
(2S)-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexyl-N-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 53326213

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).