2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole

C36H30N2 — CID 70342160

IUPAC2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole
SMILESCc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Cc2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C36H30N2/c1-27-37-34(26-28-22-24-30(25-23-28)29-14-6-2-7-15-29)35(38-27)36(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25H,26H2,1H3,(H,37,38)
InChIKeyOUOKBQJZAMNQCS-UHFFFAOYSA-N
MW490.65 g/mol
LogP8.36
Rot. Bonds7

About 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole

2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole (PubChem CID 70342160) has the molecular formula C36H30N2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole
PubChem CID70342160
Molecular FormulaC36H30N2
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole
SMILESCc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Cc2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C36H30N2/c1-27-37-34(26-28-22-24-30(25-23-28)29-14-6-2-7-15-29)35(38-27)36(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25H,26H2,1H3,(H,37,38)
InChIKeyOUOKBQJZAMNQCS-UHFFFAOYSA-N
XLogP8.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-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-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole?
The IUPAC name of 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole (CID 70342160) is 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole.
What is the SMILES notation for 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole?
The canonical SMILES for 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole is Cc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Cc2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole?
The InChIKey is OUOKBQJZAMNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2/c1-27-37-34(26-28-22-24-30(25-23-28)29-14-6-2-7-15-29)35(38-27)36(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25H,26H2,1H3,(H,37,38).
What are the key properties of 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole?
2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole has a molecular weight of 490.65 g/mol, XLogP of 8.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole is sourced from PubChem (CID 70342160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).