[2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

C18H14Cl2F2N2O2 — CID 66834825

IUPAC[2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C18H14Cl2F2N2O2/c1-9-15(17(25)11-7-6-10(26-2)8-12(11)19)24(18(20)23-9)16-13(21)4-3-5-14(16)22/h3-8,17,25H,1-2H3
InChIKeyXOPMGEBSVZSJOP-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.86
Rot. Bonds4

About [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

[2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66834825) has the molecular formula C18H14Cl2F2N2O2 and a molecular weight of 399.22 g/mol. Its IUPAC name is [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66834825
Molecular FormulaC18H14Cl2F2N2O2
Molecular Weight399.22 g/mol
Exact Mass398.04
IUPAC Name[2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C18H14Cl2F2N2O2/c1-9-15(17(25)11-7-6-10(26-2)8-12(11)19)24(18(20)23-9)16-13(21)4-3-5-14(16)22/h3-8,17,25H,1-2H3
InChIKeyXOPMGEBSVZSJOP-UHFFFAOYSA-N
XLogP4.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66834825) is [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is XOPMGEBSVZSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O2/c1-9-15(17(25)11-7-6-10(26-2)8-12(11)19)24(18(20)23-9)16-13(21)4-3-5-14(16)22/h3-8,17,25H,1-2H3.
What are the key properties of [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 399.22 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66834825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).