2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole

C16H12Cl2N2 — CID 141255834

IUPAC2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole
SMILESClc1ccc(Cl)c(-c2cnc(Cc3ccccc3)[nH]2)c1
InChIInChI=1S/C16H12Cl2N2/c17-12-6-7-14(18)13(9-12)15-10-19-16(20-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20)
InChIKeyJCTHNAFYTIBDBW-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.97
Rot. Bonds3

About 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole

2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole (PubChem CID 141255834) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole
PubChem CID141255834
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole
SMILESClc1ccc(Cl)c(-c2cnc(Cc3ccccc3)[nH]2)c1
InChIInChI=1S/C16H12Cl2N2/c17-12-6-7-14(18)13(9-12)15-10-19-16(20-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20)
InChIKeyJCTHNAFYTIBDBW-UHFFFAOYSA-N
XLogP4.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-5-(2,5-dichlorophenyl)-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-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole?
The IUPAC name of 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole (CID 141255834) is 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole is Clc1ccc(Cl)c(-c2cnc(Cc3ccccc3)[nH]2)c1.
What is the InChIKey of 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole?
The InChIKey is JCTHNAFYTIBDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-12-6-7-14(18)13(9-12)15-10-19-16(20-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20).
What are the key properties of 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole?
2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole has a molecular weight of 303.19 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 141255834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).