1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole

C16H11ClF2N2 — CID 134330431

IUPAC1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole
SMILESCc1cc(F)c(-c2cncn2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H11ClF2N2/c1-10-6-13(18)16(14(19)7-10)15-8-20-9-21(15)12-4-2-11(17)3-5-12/h2-9H,1H3
InChIKeyFRLBQOCUGYFMBH-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.78
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole

1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole (PubChem CID 134330431) has the molecular formula C16H11ClF2N2 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole
PubChem CID134330431
Molecular FormulaC16H11ClF2N2
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole
SMILESCc1cc(F)c(-c2cncn2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H11ClF2N2/c1-10-6-13(18)16(14(19)7-10)15-8-20-9-21(15)12-4-2-11(17)3-5-12/h2-9H,1H3
InChIKeyFRLBQOCUGYFMBH-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole (CID 134330431) is 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole is Cc1cc(F)c(-c2cncn2-c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole?
The InChIKey is FRLBQOCUGYFMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2/c1-10-6-13(18)16(14(19)7-10)15-8-20-9-21(15)12-4-2-11(17)3-5-12/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole?
1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole has a molecular weight of 304.73 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methylphenyl)imidazole is sourced from PubChem (CID 134330431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).