1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole

C43H60N2 — CID 69396886

IUPAC1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole
SMILESCCCCCCCCCCCCCCCCCC(c1nccn1Cc1ccccc1)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C43H60N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-41(42-44-34-35-45(42)37-39-29-22-18-23-30-39)43(2,40-31-24-19-25-32-40)36-38-27-20-17-21-28-38/h17-25,27-32,34-35,41H,3-16,26,33,36-37H2,1-2H3
InChIKeyLQBFYRHDJZVTGT-UHFFFAOYSA-N
MW604.97 g/mol
LogP12.48
Rot. Bonds23

About 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole

1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole (PubChem CID 69396886) has the molecular formula C43H60N2 and a molecular weight of 604.97 g/mol. Its IUPAC name is 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole.

Molecular Properties

Compound Name1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole
PubChem CID69396886
Molecular FormulaC43H60N2
Molecular Weight604.97 g/mol
Exact Mass604.48
IUPAC Name1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole
SMILESCCCCCCCCCCCCCCCCCC(c1nccn1Cc1ccccc1)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C43H60N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-41(42-44-34-35-45(42)37-39-29-22-18-23-30-39)43(2,40-31-24-19-25-32-40)36-38-27-20-17-21-28-38/h17-25,27-32,34-35,41H,3-16,26,33,36-37H2,1-2H3
InChIKeyLQBFYRHDJZVTGT-UHFFFAOYSA-N
XLogP12.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole
CID 69397932
1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
CID 69397916
2-(2-methyl-1,2-diphenylicosan-3-yl)-1-pentylimidazole
CID 69389553
2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
CID 69390029
1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
CID 69386928
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
CID 69394767
2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-octadecylimidazole
CID 69393145
1-hexyl-2-(2-methyl-1,2-diphenyloctadecan-3-yl)imidazole
CID 69394432
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
CID 69395057
2-(2-methyl-1,2-diphenyldecan-3-yl)-1-undecylimidazole
CID 69393726
2-(2-methyl-1,2-diphenylheptadecan-3-yl)-1-octadecylimidazole
CID 69395580
1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
CID 69393943

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole?
The IUPAC name of 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole (CID 69396886) is 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole.
What is the SMILES notation for 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole?
The canonical SMILES for 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole is CCCCCCCCCCCCCCCCCC(c1nccn1Cc1ccccc1)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole?
The InChIKey is LQBFYRHDJZVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H60N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-41(42-44-34-35-45(42)37-39-29-22-18-23-30-39)43(2,40-31-24-19-25-32-40)36-38-27-20-17-21-28-38/h17-25,27-32,34-35,41H,3-16,26,33,36-37H2,1-2H3.
What are the key properties of 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole?
1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole has a molecular weight of 604.97 g/mol, XLogP of 12.48, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole is sourced from PubChem (CID 69396886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).