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

C17H10Cl2F4N2O — CID 56933416

IUPAC[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
SMILESCc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(O)c1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F4N2O/c1-7-14(16(26)10-3-2-8(20)5-12(10)22)25(17(19)24-7)15-11(18)4-9(21)6-13(15)23/h2-6,16,26H,1H3
InChIKeyYBJURGVBJUOMBY-UHFFFAOYSA-N
MW405.18 g/mol
LogP5.13
Rot. Bonds3

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

[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol (PubChem CID 56933416) has the molecular formula C17H10Cl2F4N2O and a molecular weight of 405.18 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
PubChem CID56933416
Molecular FormulaC17H10Cl2F4N2O
Molecular Weight405.18 g/mol
Exact Mass404.01
IUPAC Name[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
SMILESCc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(O)c1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F4N2O/c1-7-14(16(26)10-3-2-8(20)5-12(10)22)25(17(19)24-7)15-11(18)4-9(21)6-13(15)23/h2-6,16,26H,1H3
InChIKeyYBJURGVBJUOMBY-UHFFFAOYSA-N
XLogP5.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.18
LogP ≤ 55.13
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]-(2,4-difluorophenyl)methanol?
The IUPAC name of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol (CID 56933416) is [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol?
The canonical SMILES for [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol is Cc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(O)c1ccc(F)cc1F.
What is the InChIKey of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol?
The InChIKey is YBJURGVBJUOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F4N2O/c1-7-14(16(26)10-3-2-8(20)5-12(10)22)25(17(19)24-7)15-11(18)4-9(21)6-13(15)23/h2-6,16,26H,1H3.
What are the key properties of [2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol?
[2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol has a molecular weight of 405.18 g/mol, XLogP of 5.13, 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]-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 56933416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).