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

C17H11BrClF3N2O — CID 66835368

IUPAC[2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESCc1nc(Br)n(-c2ccc(F)cc2F)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11BrClF3N2O/c1-8-15(16(25)11-4-2-9(20)6-12(11)19)24(17(18)23-8)14-5-3-10(21)7-13(14)22/h2-7,16,25H,1H3
InChIKeyNHEOMFJQHXNSFF-UHFFFAOYSA-N
MW431.64 g/mol
LogP5.10
Rot. Bonds3

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

[2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol (PubChem CID 66835368) has the molecular formula C17H11BrClF3N2O and a molecular weight of 431.64 g/mol. Its IUPAC name is [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
PubChem CID66835368
Molecular FormulaC17H11BrClF3N2O
Molecular Weight431.64 g/mol
Exact Mass429.97
IUPAC Name[2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESCc1nc(Br)n(-c2ccc(F)cc2F)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11BrClF3N2O/c1-8-15(16(25)11-4-2-9(20)6-12(11)19)24(17(18)23-8)14-5-3-10(21)7-13(14)22/h2-7,16,25H,1H3
InChIKeyNHEOMFJQHXNSFF-UHFFFAOYSA-N
XLogP5.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.64
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The IUPAC name of [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol (CID 66835368) is [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The canonical SMILES for [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol is Cc1nc(Br)n(-c2ccc(F)cc2F)c1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The InChIKey is NHEOMFJQHXNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClF3N2O/c1-8-15(16(25)11-4-2-9(20)6-12(11)19)24(17(18)23-8)14-5-3-10(21)7-13(14)22/h2-7,16,25H,1H3.
What are the key properties of [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
[2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol has a molecular weight of 431.64 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-(2,4-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 66835368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).