2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole

C17H12Cl2F2N2O — CID 66897236

IUPAC2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole
SMILESCOc1cc(F)c(-c2c(C)nc(Cl)n2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H12Cl2F2N2O/c1-9-16(15-13(20)7-12(24-2)8-14(15)21)23(17(19)22-9)11-5-3-10(18)4-6-11/h3-8H,1-2H3
InChIKeyWWWWADMAXVDQKC-UHFFFAOYSA-N
MW369.20 g/mol
LogP5.44
Rot. Bonds3

About 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole

2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole (PubChem CID 66897236) has the molecular formula C17H12Cl2F2N2O and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole.

Molecular Properties

Compound Name2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole
PubChem CID66897236
Molecular FormulaC17H12Cl2F2N2O
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole
SMILESCOc1cc(F)c(-c2c(C)nc(Cl)n2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H12Cl2F2N2O/c1-9-16(15-13(20)7-12(24-2)8-14(15)21)23(17(19)22-9)11-5-3-10(18)4-6-11/h3-8H,1-2H3
InChIKeyWWWWADMAXVDQKC-UHFFFAOYSA-N
XLogP5.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.20
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole?
The IUPAC name of 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole (CID 66897236) is 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole.
What is the SMILES notation for 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole?
The canonical SMILES for 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole is COc1cc(F)c(-c2c(C)nc(Cl)n2-c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole?
The InChIKey is WWWWADMAXVDQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O/c1-9-16(15-13(20)7-12(24-2)8-14(15)21)23(17(19)22-9)11-5-3-10(18)4-6-11/h3-8H,1-2H3.
What are the key properties of 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole?
2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole has a molecular weight of 369.20 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole is sourced from PubChem (CID 66897236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).