[5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

C18H13Cl3F2N2O2 — CID 66835373

IUPAC[5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nc(C)n2-c2c(F)cc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3F2N2O2/c1-8-24-18(21)16(17(26)11-4-3-10(27-2)7-12(11)19)25(8)15-13(20)5-9(22)6-14(15)23/h3-7,17,26H,1-2H3
InChIKeySWZQFTVIQBNZBT-UHFFFAOYSA-N
MW433.67 g/mol
LogP5.51
Rot. Bonds4

About [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

[5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66835373) has the molecular formula C18H13Cl3F2N2O2 and a molecular weight of 433.67 g/mol. Its IUPAC name is [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66835373
Molecular FormulaC18H13Cl3F2N2O2
Molecular Weight433.67 g/mol
Exact Mass432.00
IUPAC Name[5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nc(C)n2-c2c(F)cc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3F2N2O2/c1-8-24-18(21)16(17(26)11-4-3-10(27-2)7-12(11)19)25(8)15-13(20)5-9(22)6-14(15)23/h3-7,17,26H,1-2H3
InChIKeySWZQFTVIQBNZBT-UHFFFAOYSA-N
XLogP5.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.67
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66835373) is [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Cl)nc(C)n2-c2c(F)cc(F)cc2Cl)c(Cl)c1.
What is the InChIKey of [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is SWZQFTVIQBNZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3F2N2O2/c1-8-24-18(21)16(17(26)11-4-3-10(27-2)7-12(11)19)25(8)15-13(20)5-9(22)6-14(15)23/h3-7,17,26H,1-2H3.
What are the key properties of [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 433.67 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66835373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).