2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole

C21H24N2 — CID 70909578

IUPAC2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
SMILESCCC(C)c1ccc(-c2cnc(Cc3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C21H24N2/c1-4-15(2)18-10-11-19(16(3)12-18)20-14-22-21(23-20)13-17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)
InChIKeyZCROZGIUTMOKCM-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.49
Rot. Bonds5

About 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole

2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole (PubChem CID 70909578) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
PubChem CID70909578
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
SMILESCCC(C)c1ccc(-c2cnc(Cc3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C21H24N2/c1-4-15(2)18-10-11-19(16(3)12-18)20-14-22-21(23-20)13-17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)
InChIKeyZCROZGIUTMOKCM-UHFFFAOYSA-N
XLogP5.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-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-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
The IUPAC name of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole (CID 70909578) is 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole is CCC(C)c1ccc(-c2cnc(Cc3ccccc3)[nH]2)c(C)c1.
What is the InChIKey of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
The InChIKey is ZCROZGIUTMOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-15(2)18-10-11-19(16(3)12-18)20-14-22-21(23-20)13-17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,22,23).
What are the key properties of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole is sourced from PubChem (CID 70909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).