[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol

C14H15F3N2O2S — CID 2775653

IUPAC[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2S/c1-19-11(9-20)8-18-13(19)22-6-5-21-12-4-2-3-10(7-12)14(15,16)17/h2-4,7-8,20H,5-6,9H2,1H3
InChIKeyJHIITJAKWTUWPX-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.10
Rot. Bonds6

About [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol (PubChem CID 2775653) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol
PubChem CID2775653
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2S/c1-19-11(9-20)8-18-13(19)22-6-5-21-12-4-2-3-10(7-12)14(15,16)17/h2-4,7-8,20H,5-6,9H2,1H3
InChIKeyJHIITJAKWTUWPX-UHFFFAOYSA-N
XLogP3.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol 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

CID 2763905
CID 2763905
CID 16029009
CID 16029009
CID 7331883
CID 7331883
CID 16029014
CID 16029014
CID 18589636
CID 18589636
CID 22576436
CID 22576436
CID 52709548
CID 52709548
CID 71050589
CID 71050589
CID 122607403
CID 122607403
CID 134183906
CID 134183906
CID 141930912
CID 141930912
CID 163255095
CID 163255095

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol (CID 2775653) is [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol is Cn1c(CO)cnc1SCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is JHIITJAKWTUWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c1-19-11(9-20)8-18-13(19)22-6-5-21-12-4-2-3-10(7-12)14(15,16)17/h2-4,7-8,20H,5-6,9H2,1H3.
What are the key properties of [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 332.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 2775653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).