2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole

C31H28N2 — CID 102124708

IUPAC2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESCC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1
InChIInChI=1S/C31H28N2/c1-31(2,3)27-20-18-23(19-21-27)22-14-16-26(17-15-22)30-32-28(24-10-6-4-7-11-24)29(33-30)25-12-8-5-9-13-25/h4-21H,1-3H3,(H,32,33)
InChIKeyJACWRFWBWWQECN-UHFFFAOYSA-N
MW428.58 g/mol
LogP8.38
Rot. Bonds4

About 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole

2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 102124708) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
PubChem CID102124708
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESCC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1
InChIInChI=1S/C31H28N2/c1-31(2,3)27-20-18-23(19-21-27)22-14-16-26(17-15-22)30-32-28(24-10-6-4-7-11-24)29(33-30)25-12-8-5-9-13-25/h4-21H,1-3H3,(H,32,33)
InChIKeyJACWRFWBWWQECN-UHFFFAOYSA-N
XLogP8.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole (CID 102124708) is 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole is CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is JACWRFWBWWQECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-31(2,3)27-20-18-23(19-21-27)22-14-16-26(17-15-22)30-32-28(24-10-6-4-7-11-24)29(33-30)25-12-8-5-9-13-25/h4-21H,1-3H3,(H,32,33).
What are the key properties of 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole?
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 428.58 g/mol, XLogP of 8.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 102124708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).