(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C14H15F3N2OS — CID 63976478

IUPAC(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCCCn1ccnc1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-2-8-19-9-7-18-13(19)12(20)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9,12,20H,2,8H2,1H3
InChIKeyNTUDCMNOBJDTBI-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.99
Rot. Bonds5

About (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63976478) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63976478
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCCCn1ccnc1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-2-8-19-9-7-18-13(19)12(20)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9,12,20H,2,8H2,1H3
InChIKeyNTUDCMNOBJDTBI-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]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

(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
CID 103216817
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63895500
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
CID 66070414

Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63976478) is (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is CCCn1ccnc1C(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is NTUDCMNOBJDTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-8-19-9-7-18-13(19)12(20)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9,12,20H,2,8H2,1H3.
What are the key properties of (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 316.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63976478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).