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

C19H17BrClFN2O2 — CID 66835437

IUPAC[5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nc(C)n2-c2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C19H17BrClFN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)17-19(20)23-11(2)24(17)16-14(21)5-4-6-15(16)22/h4-9,18,25H,1-3H3
InChIKeyYHDMVKCADDTCDR-UHFFFAOYSA-N
MW439.71 g/mol
LogP5.13
Rot. Bonds4

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

[5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (PubChem CID 66835437) has the molecular formula C19H17BrClFN2O2 and a molecular weight of 439.71 g/mol. Its IUPAC name is [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
PubChem CID66835437
Molecular FormulaC19H17BrClFN2O2
Molecular Weight439.71 g/mol
Exact Mass438.01
IUPAC Name[5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nc(C)n2-c2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C19H17BrClFN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)17-19(20)23-11(2)24(17)16-14(21)5-4-6-15(16)22/h4-9,18,25H,1-3H3
InChIKeyYHDMVKCADDTCDR-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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Related Compounds

CID 66834825
CID 66834825
CID 66835323
CID 66835323
CID 66835349
CID 66835349
CID 66835357
CID 66835357
CID 66835373
CID 66835373
CID 66835426
CID 66835426
CID 66835454
CID 66835454
CID 66835481
CID 66835481
CID 66835523
CID 66835523
CID 66835784
CID 66835784
CID 123808788
CID 123808788
CID 140770138
CID 140770138

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (CID 66835437) is [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2c(Br)nc(C)n2-c2c(F)cccc2Cl)c(C)c1.
What is the InChIKey of [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is YHDMVKCADDTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)17-19(20)23-11(2)24(17)16-14(21)5-4-6-15(16)22/h4-9,18,25H,1-3H3.
What are the key properties of [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
[5-bromo-3-(2-chloro-6-fluorophenyl)-2-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 [5-bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 66835437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).