[3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol

C19H17BrClFN2O2 — CID 66835349

IUPAC[3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C19H17BrClFN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)16-11(2)23-19(21)24(16)17-14(20)5-4-6-15(17)22/h4-9,18,25H,1-3H3
InChIKeyZBWFGCLHIMSHFP-UHFFFAOYSA-N
MW439.71 g/mol
LogP5.13
Rot. Bonds4

About [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol

[3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (PubChem CID 66835349) has the molecular formula C19H17BrClFN2O2 and a molecular weight of 439.71 g/mol. Its IUPAC name is [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name[3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
PubChem CID66835349
Molecular FormulaC19H17BrClFN2O2
Molecular Weight439.71 g/mol
Exact Mass438.01
IUPAC Name[3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C19H17BrClFN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)16-11(2)23-19(21)24(16)17-14(20)5-4-6-15(17)22/h4-9,18,25H,1-3H3
InChIKeyZBWFGCLHIMSHFP-UHFFFAOYSA-N
XLogP5.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.71
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (CID 66835349) is [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Br)c(C)c1.
What is the InChIKey of [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is ZBWFGCLHIMSHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)16-11(2)23-19(21)24(16)17-14(20)5-4-6-15(17)22/h4-9,18,25H,1-3H3.
What are the key properties of [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
[3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 439.71 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 66835349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).