[2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane

C20H24F5N3O2S — CID 177134040

IUPAC[2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1nc([C@@H](OC2CCC(C(F)(F)F)CC2)c2cccc(C(F)F)c2)[nH]c1C
InChIInChI=1S/C20H24F5N3O2S/c1-11-19(31(2,26)29)28-18(27-11)16(12-4-3-5-13(10-12)17(21)22)30-15-8-6-14(7-9-15)20(23,24)25/h3-5,10,14-17,26H,6-9H2,1-2H3,(H,27,28)/t14?,15?,16-,31-/m0/s1
InChIKeyMBZASNFWRCGPIB-RPEKKULRSA-N
MW465.49 g/mol
LogP5.92
Rot. Bonds6

About [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane

[2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 177134040) has the molecular formula C20H24F5N3O2S and a molecular weight of 465.49 g/mol. Its IUPAC name is [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane
PubChem CID177134040
Molecular FormulaC20H24F5N3O2S
Molecular Weight465.49 g/mol
Exact Mass465.15
IUPAC Name[2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1nc([C@@H](OC2CCC(C(F)(F)F)CC2)c2cccc(C(F)F)c2)[nH]c1C
InChIInChI=1S/C20H24F5N3O2S/c1-11-19(31(2,26)29)28-18(27-11)16(12-4-3-5-13(10-12)17(21)22)30-15-8-6-14(7-9-15)20(23,24)25/h3-5,10,14-17,26H,6-9H2,1-2H3,(H,27,28)/t14?,15?,16-,31-/m0/s1
InChIKeyMBZASNFWRCGPIB-RPEKKULRSA-N
XLogP5.92
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-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-benzyloxymethyl-5-(3,5-difluorophenylthio)-4-isopropyl-1H-imidazole
CID 22130566
2-[(3-chloro-4-fluorophenyl)-(spiro[2.3]hexan-5-ylmethoxy)methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398873
2-[(3-chloro-4-fluorophenyl)-[(2-chloro-4-fluorophenyl)methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398874
2-[(3-chloro-4-fluorophenyl)-[[3-(trifluoromethyl)cyclobutyl]methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398880
2-[(3-chloro-4-fluorophenyl)-[(2-methylphenyl)methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398884
2-[(3-chloro-4-fluorophenyl)-[[4-(trifluoromethyl)phenyl]methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398886
2-[(3-chloro-4-fluorophenyl)-[(3-chlorophenyl)methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398888
2-[(3-chloro-4-fluorophenyl)-[(3-fluorophenyl)methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398889
2-[(3-chloro-4-fluorophenyl)-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398891
2-[(3-chloro-4-fluorophenyl)-[(3-methyl-3-bicyclo[3.1.0]hexanyl)methoxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398898
4-[(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methoxy]cyclohexane-1-carbonitrile
CID 176398904
2-[(3-chloro-4-fluorophenyl)-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)oxy]methyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 176398906

Frequently Asked Questions

What is the IUPAC name of [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane (CID 177134040) is [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)c1nc([C@@H](OC2CCC(C(F)(F)F)CC2)c2cccc(C(F)F)c2)[nH]c1C.
What is the InChIKey of [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is MBZASNFWRCGPIB-RPEKKULRSA-N. The full InChI is InChI=1S/C20H24F5N3O2S/c1-11-19(31(2,26)29)28-18(27-11)16(12-4-3-5-13(10-12)17(21)22)30-15-8-6-14(7-9-15)20(23,24)25/h3-5,10,14-17,26H,6-9H2,1-2H3,(H,27,28)/t14?,15?,16-,31-/m0/s1.
What are the key properties of [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane?
[2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 465.49 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(S)-[3-(difluoromethyl)phenyl]-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 177134040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).