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

C18H13Cl2F3N2O — CID 66835463

IUPAC[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1c(C)nc(Cl)n1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C18H13Cl2F3N2O/c1-8-5-10(21)3-4-12(8)17(26)15-9(2)24-18(20)25(15)16-13(19)6-11(22)7-14(16)23/h3-7,17,26H,1-2H3
InChIKeyLEEVTZFAYSKRKB-UHFFFAOYSA-N
MW401.22 g/mol
LogP5.29
Rot. Bonds3

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

[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol (PubChem CID 66835463) has the molecular formula C18H13Cl2F3N2O and a molecular weight of 401.22 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol
PubChem CID66835463
Molecular FormulaC18H13Cl2F3N2O
Molecular Weight401.22 g/mol
Exact Mass400.04
IUPAC Name[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1c(C)nc(Cl)n1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C18H13Cl2F3N2O/c1-8-5-10(21)3-4-12(8)17(26)15-9(2)24-18(20)25(15)16-13(19)6-11(22)7-14(16)23/h3-7,17,26H,1-2H3
InChIKeyLEEVTZFAYSKRKB-UHFFFAOYSA-N
XLogP5.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol (CID 66835463) is [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)c1c(C)nc(Cl)n1-c1c(F)cc(F)cc1Cl.
What is the InChIKey of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is LEEVTZFAYSKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O/c1-8-5-10(21)3-4-12(8)17(26)15-9(2)24-18(20)25(15)16-13(19)6-11(22)7-14(16)23/h3-7,17,26H,1-2H3.
What are the key properties of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol?
[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 401.22 g/mol, XLogP of 5.29, 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-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 66835463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).