[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol

C17H11Cl3F2N2O — CID 66835439

IUPAC[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESCc1nc(Cl)n(-c2ccc(F)cc2Cl)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11Cl3F2N2O/c1-8-15(16(25)11-4-2-9(21)6-12(11)18)24(17(20)23-8)14-5-3-10(22)7-13(14)19/h2-7,16,25H,1H3
InChIKeySPXLXXWXMZVAAG-UHFFFAOYSA-N
MW403.64 g/mol
LogP5.50
Rot. Bonds3

About [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol

[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol (PubChem CID 66835439) has the molecular formula C17H11Cl3F2N2O and a molecular weight of 403.64 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
PubChem CID66835439
Molecular FormulaC17H11Cl3F2N2O
Molecular Weight403.64 g/mol
Exact Mass401.99
IUPAC Name[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESCc1nc(Cl)n(-c2ccc(F)cc2Cl)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11Cl3F2N2O/c1-8-15(16(25)11-4-2-9(21)6-12(11)18)24(17(20)23-8)14-5-3-10(22)7-13(14)19/h2-7,16,25H,1H3
InChIKeySPXLXXWXMZVAAG-UHFFFAOYSA-N
XLogP5.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)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-[(2-Chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 16012746
(3-Benzyl-2-ethylimidazol-4-yl)-(4-chlorophenyl)methanol
CID 304281
[2-Chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
CID 56933416
[2-Chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66834825
[2-Chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
CID 66834827
[2-Bromo-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66834949
[2-Bromo-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835293
[3-(2-Bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835362
[2-Bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835368
[2-Chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835371
[5-Chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66835373
[2-Chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835376

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The IUPAC name of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol (CID 66835439) is [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The canonical SMILES for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol is Cc1nc(Cl)n(-c2ccc(F)cc2Cl)c1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The InChIKey is SPXLXXWXMZVAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3F2N2O/c1-8-15(16(25)11-4-2-9(21)6-12(11)18)24(17(20)23-8)14-5-3-10(22)7-13(14)19/h2-7,16,25H,1H3.
What are the key properties of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol has a molecular weight of 403.64 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 66835439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).