4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole

C12H10ClF3N2O — CID 19959928

IUPAC4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
SMILESCOc1cc(-c2cn(C(F)F)c(C)n2)c(F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-6-17-10(5-18(6)12(15)16)7-3-11(19-2)8(13)4-9(7)14/h3-5,12H,1-2H3
InChIKeyVSACWHJHVGPNGT-UHFFFAOYSA-N
MW290.67 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole

4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole (PubChem CID 19959928) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole.

Molecular Properties

Compound Name4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
PubChem CID19959928
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
SMILESCOc1cc(-c2cn(C(F)F)c(C)n2)c(F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-6-17-10(5-18(6)12(15)16)7-3-11(19-2)8(13)4-9(7)14/h3-5,12H,1-2H3
InChIKeyVSACWHJHVGPNGT-UHFFFAOYSA-N
XLogP4.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole?
The IUPAC name of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole (CID 19959928) is 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole.
What is the SMILES notation for 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole?
The canonical SMILES for 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole is COc1cc(-c2cn(C(F)F)c(C)n2)c(F)cc1Cl.
What is the InChIKey of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole?
The InChIKey is VSACWHJHVGPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-6-17-10(5-18(6)12(15)16)7-3-11(19-2)8(13)4-9(7)14/h3-5,12H,1-2H3.
What are the key properties of 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole?
4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole has a molecular weight of 290.67 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole is sourced from PubChem (CID 19959928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).