(2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane

C29H31ClF2N2S — CID 67058095

IUPAC(2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane
SMILESCn1ccnc1S(C)(c1ccc(F)cc1)(c1ccccc1F)(c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C29H31ClF2N2S/c1-34-21-20-33-29(34)35(2,23-10-4-3-5-11-23,24-18-16-22(31)17-19-24,27-14-8-6-12-25(27)30)28-15-9-7-13-26(28)32/h6-9,12-21,23H,3-5,10-11H2,1-2H3
InChIKeyOGZFBGNNCQSVKM-UHFFFAOYSA-N
MW513.10 g/mol
LogP8.73
Rot. Bonds5

About (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane

(2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane (PubChem CID 67058095) has the molecular formula C29H31ClF2N2S and a molecular weight of 513.10 g/mol. Its IUPAC name is (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane.

Molecular Properties

Compound Name(2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane
PubChem CID67058095
Molecular FormulaC29H31ClF2N2S
Molecular Weight513.10 g/mol
Exact Mass512.19
IUPAC Name(2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane
SMILESCn1ccnc1S(C)(c1ccc(F)cc1)(c1ccccc1F)(c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C29H31ClF2N2S/c1-34-21-20-33-29(34)35(2,23-10-4-3-5-11-23,24-18-16-22(31)17-19-24,27-14-8-6-12-25(27)30)28-15-9-7-13-26(28)32/h6-9,12-21,23H,3-5,10-11H2,1-2H3
InChIKeyOGZFBGNNCQSVKM-UHFFFAOYSA-N
XLogP8.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.10
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

2-[[1-(2-Chlorophenyl)cyclohexyl]-(2-fluorophenyl)-(4-fluorophenyl)methyl]sulfanyl-1-methylimidazole
CID 18457065
1-[2-(2-Chlorophenyl)sulfanyl-4-(4-fluorophenyl)butyl]imidazole
CID 20365310
Bis(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-lambda4-sulfane
CID 69843000
4-(2-Chloro-6-fluorophenyl)sulfonyl-1-methylimidazole
CID 141047351
4-Chlorobenzenethiol;1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole;methane
CID 158002313
2-[(2-Chlorophenyl)sulfanylmethyl]-1-(difluoromethyl)imidazole
CID 133814132
1-[2,2-bis(4-chlorophenythio)ethyl]-1H-imidazole
CID 13320314
2-(2-Chlorophenyl)sulfanyl-1-methylimidazole
CID 15077484
2-[(2,6-Dichlorophenyl)thio]-1-methyl-1H-imidazole
CID 15077493
2-(2,4-Dichlorophenyl)sulfanyl-1-methylimidazole
CID 15077496
1-Tert-butyl-2-(2-chlorophenyl)sulfanylimidazole
CID 15077505
2-(2,5-Dichlorophenyl)sulfanyl-1-methylimidazole
CID 15077508

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane?
The IUPAC name of (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane (CID 67058095) is (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane.
What is the SMILES notation for (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane?
The canonical SMILES for (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane is Cn1ccnc1S(C)(c1ccc(F)cc1)(c1ccccc1F)(c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane?
The InChIKey is OGZFBGNNCQSVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClF2N2S/c1-34-21-20-33-29(34)35(2,23-10-4-3-5-11-23,24-18-16-22(31)17-19-24,27-14-8-6-12-25(27)30)28-15-9-7-13-26(28)32/h6-9,12-21,23H,3-5,10-11H2,1-2H3.
What are the key properties of (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane?
(2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane has a molecular weight of 513.10 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-λ6-sulfane is sourced from PubChem (CID 67058095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).