5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole

C19H20N2 — CID 174633660

IUPAC5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H20N2/c1-19(2,3)16-11-9-14(10-12-16)17-13-20-18(21-17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21)
InChIKeyOBYXZWOUSSCNGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.04
Rot. Bonds2

About 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole

5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole (PubChem CID 174633660) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
PubChem CID174633660
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H20N2/c1-19(2,3)16-11-9-14(10-12-16)17-13-20-18(21-17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21)
InChIKeyOBYXZWOUSSCNGK-UHFFFAOYSA-N
XLogP5.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(4-tert-butylphenyl)-2-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 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole?
The IUPAC name of 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole (CID 174633660) is 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole is CC(C)(C)c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole?
The InChIKey is OBYXZWOUSSCNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-19(2,3)16-11-9-14(10-12-16)17-13-20-18(21-17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21).
What are the key properties of 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole?
5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole has a molecular weight of 276.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole is sourced from PubChem (CID 174633660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).