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

C18H14Cl2F2N2O2 — CID 66835523

IUPAC[5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nc(C)n2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C18H14Cl2F2N2O2/c1-9-23-18(20)16(24(9)15-13(21)4-3-5-14(15)22)17(25)11-7-6-10(26-2)8-12(11)19/h3-8,17,25H,1-2H3
InChIKeyNIENIMKSLLNXAQ-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.86
Rot. Bonds4

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

[5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66835523) has the molecular formula C18H14Cl2F2N2O2 and a molecular weight of 399.22 g/mol. Its IUPAC name is [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66835523
Molecular FormulaC18H14Cl2F2N2O2
Molecular Weight399.22 g/mol
Exact Mass398.04
IUPAC Name[5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nc(C)n2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C18H14Cl2F2N2O2/c1-9-23-18(20)16(24(9)15-13(21)4-3-5-14(15)22)17(25)11-7-6-10(26-2)8-12(11)19/h3-8,17,25H,1-2H3
InChIKeyNIENIMKSLLNXAQ-UHFFFAOYSA-N
XLogP4.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66835523) is [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Cl)nc(C)n2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is NIENIMKSLLNXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O2/c1-9-23-18(20)16(24(9)15-13(21)4-3-5-14(15)22)17(25)11-7-6-10(26-2)8-12(11)19/h3-8,17,25H,1-2H3.
What are the key properties of [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 399.22 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66835523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).