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

C17H11BrCl2F2N2O — CID 66835362

IUPAC[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESCc1nc(Cl)n(-c2ccc(F)cc2Br)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11BrCl2F2N2O/c1-8-15(16(25)11-4-2-10(22)7-13(11)19)24(17(20)23-8)14-5-3-9(21)6-12(14)18/h2-7,16,25H,1H3
InChIKeyPLGURSJATBNUAN-UHFFFAOYSA-N
MW448.09 g/mol
LogP5.61
Rot. Bonds3

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

[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol (PubChem CID 66835362) has the molecular formula C17H11BrCl2F2N2O and a molecular weight of 448.09 g/mol. Its IUPAC name is [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
PubChem CID66835362
Molecular FormulaC17H11BrCl2F2N2O
Molecular Weight448.09 g/mol
Exact Mass445.94
IUPAC Name[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESCc1nc(Cl)n(-c2ccc(F)cc2Br)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H11BrCl2F2N2O/c1-8-15(16(25)11-4-2-10(22)7-13(11)19)24(17(20)23-8)14-5-3-9(21)6-12(14)18/h2-7,16,25H,1H3
InChIKeyPLGURSJATBNUAN-UHFFFAOYSA-N
XLogP5.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.09
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835439
[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
CID 66834827
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
[5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66835323
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol
CID 141429995

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The IUPAC name of [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol (CID 66835362) is [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The canonical SMILES for [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol is Cc1nc(Cl)n(-c2ccc(F)cc2Br)c1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
The InChIKey is PLGURSJATBNUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2F2N2O/c1-8-15(16(25)11-4-2-10(22)7-13(11)19)24(17(20)23-8)14-5-3-9(21)6-12(14)18/h2-7,16,25H,1H3.
What are the key properties of [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol?
[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol has a molecular weight of 448.09 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 66835362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).