2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole

C16H13ClN2 — CID 57100935

IUPAC2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
SMILESCc1ccc(-c2[nH]c(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H13ClN2/c1-11-7-9-13(10-8-11)15-14(18-16(17)19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyFRKOZZSNRHQGNF-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.71
Rot. Bonds2

About 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole

2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole (PubChem CID 57100935) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
PubChem CID57100935
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
SMILESCc1ccc(-c2[nH]c(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H13ClN2/c1-11-7-9-13(10-8-11)15-14(18-16(17)19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyFRKOZZSNRHQGNF-UHFFFAOYSA-N
XLogP4.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-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 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole (CID 57100935) is 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole is Cc1ccc(-c2[nH]c(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
The InChIKey is FRKOZZSNRHQGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-11-7-9-13(10-8-11)15-14(18-16(17)19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole has a molecular weight of 268.75 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 57100935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).