1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole

C16H10ClF3N2 — CID 134330413

IUPAC1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole
SMILESCc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(F)c1F
InChIInChI=1S/C16H10ClF3N2/c1-9-16(14-12(18)6-7-13(19)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3
InChIKeyRNBHPLOTCFBHAH-UHFFFAOYSA-N
MW322.72 g/mol
LogP4.92
Rot. Bonds2

About 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole

1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole (PubChem CID 134330413) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole
PubChem CID134330413
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole
SMILESCc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(F)c1F
InChIInChI=1S/C16H10ClF3N2/c1-9-16(14-12(18)6-7-13(19)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3
InChIKeyRNBHPLOTCFBHAH-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole (CID 134330413) is 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole is Cc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(F)c1F.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole?
The InChIKey is RNBHPLOTCFBHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c1-9-16(14-12(18)6-7-13(19)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole?
1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole has a molecular weight of 322.72 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-5-(2,3,6-trifluorophenyl)imidazole is sourced from PubChem (CID 134330413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).