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

C18H14Cl3FN2O2 — CID 66835784

IUPAC[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl3FN2O2/c1-9-16(17(25)12-5-4-11(26-2)8-13(12)19)24(18(21)23-9)15-6-3-10(22)7-14(15)20/h3-8,17,25H,1-2H3
InChIKeyHNFGISLLTMTPEG-UHFFFAOYSA-N
MW415.68 g/mol
LogP5.37
Rot. Bonds4

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

[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66835784) has the molecular formula C18H14Cl3FN2O2 and a molecular weight of 415.68 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66835784
Molecular FormulaC18H14Cl3FN2O2
Molecular Weight415.68 g/mol
Exact Mass414.01
IUPAC Name[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl3FN2O2/c1-9-16(17(25)12-5-4-11(26-2)8-13(12)19)24(18(21)23-9)15-6-3-10(22)7-14(15)20/h3-8,17,25H,1-2H3
InChIKeyHNFGISLLTMTPEG-UHFFFAOYSA-N
XLogP5.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.68
LogP ≤ 55.37
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]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66835784) is [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(Cl)c1.
What is the InChIKey of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is HNFGISLLTMTPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3FN2O2/c1-9-16(17(25)12-5-4-11(26-2)8-13(12)19)24(18(21)23-9)15-6-3-10(22)7-14(15)20/h3-8,17,25H,1-2H3.
What are the key properties of [2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[2-chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 415.68 g/mol, XLogP of 5.37, 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]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66835784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).