2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

C18H15F3N2O5S — CID 10598616

IUPAC2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H15F3N2O5S/c1-29(25,26)13-5-3-12(4-6-13)23-9-17(24,18(19,20)21)22-16(23)11-2-7-14-15(8-11)28-10-27-14/h2-8,24H,9-10H2,1H3
InChIKeyQIXZBZSDMGRTFD-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.34
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 10598616) has the molecular formula C18H15F3N2O5S and a molecular weight of 428.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID10598616
Molecular FormulaC18H15F3N2O5S
Molecular Weight428.39 g/mol
Exact Mass428.07
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H15F3N2O5S/c1-29(25,26)13-5-3-12(4-6-13)23-9-17(24,18(19,20)21)22-16(23)11-2-7-14-15(8-11)28-10-27-14/h2-8,24H,9-10H2,1H3
InChIKeyQIXZBZSDMGRTFD-UHFFFAOYSA-N
XLogP2.34
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol 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

3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22997835
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4,5-dihydroimidazol-4-ol
CID 67694340
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
CID 22997697
[3-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol
CID 10763628
6-(1,3-benzodioxol-5-yl)-1-(4-methylsulfonylphenyl)benzimidazole
CID 126669483
1-(1,3-benzodioxol-5-yl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 22909693
5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 22997878
ethyl 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate
CID 139617799
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)pyrazole-5-carboxylic acid
CID 91871967
4-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667376
2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 23025632

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 10598616) is 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is CS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is QIXZBZSDMGRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O5S/c1-29(25,26)13-5-3-12(4-6-13)23-9-17(24,18(19,20)21)22-16(23)11-2-7-14-15(8-11)28-10-27-14/h2-8,24H,9-10H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 428.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 10598616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).