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

C19H17Cl2FN2O2 — CID 66835357

IUPAC[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-10-8-13(26-3)5-6-14(10)18(25)17-11(2)23-19(21)24(17)16-7-4-12(22)9-15(16)20/h4-9,18,25H,1-3H3
InChIKeyGYIREOSJAWUWIO-UHFFFAOYSA-N
MW395.26 g/mol
LogP5.03
Rot. Bonds4

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

[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (PubChem CID 66835357) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
PubChem CID66835357
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-10-8-13(26-3)5-6-14(10)18(25)17-11(2)23-19(21)24(17)16-7-4-12(22)9-15(16)20/h4-9,18,25H,1-3H3
InChIKeyGYIREOSJAWUWIO-UHFFFAOYSA-N
XLogP5.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (CID 66835357) is [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(C)c1.
What is the InChIKey of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is GYIREOSJAWUWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c1-10-8-13(26-3)5-6-14(10)18(25)17-11(2)23-19(21)24(17)16-7-4-12(22)9-15(16)20/h4-9,18,25H,1-3H3.
What are the key properties of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 395.26 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 66835357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).