1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole

C32H32N2 — CID 175317276

IUPAC1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole
SMILESCCN1C(c2ccccc2)=C(c2ccccc2)N(Cc2ccccc2)C1c1cc(C)cc(C)c1
InChIInChI=1S/C32H32N2/c1-4-33-30(27-16-10-6-11-17-27)31(28-18-12-7-13-19-28)34(23-26-14-8-5-9-15-26)32(33)29-21-24(2)20-25(3)22-29/h5-22,32H,4,23H2,1-3H3
InChIKeyVGNZEXUQMATBSN-UHFFFAOYSA-N
MW444.62 g/mol
LogP7.67
Rot. Bonds6

About 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole

1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole (PubChem CID 175317276) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole
PubChem CID175317276
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC Name1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole
SMILESCCN1C(c2ccccc2)=C(c2ccccc2)N(Cc2ccccc2)C1c1cc(C)cc(C)c1
InChIInChI=1S/C32H32N2/c1-4-33-30(27-16-10-6-11-17-27)31(28-18-12-7-13-19-28)34(23-26-14-8-5-9-15-26)32(33)29-21-24(2)20-25(3)22-29/h5-22,32H,4,23H2,1-3H3
InChIKeyVGNZEXUQMATBSN-UHFFFAOYSA-N
XLogP7.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole?
The IUPAC name of 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole (CID 175317276) is 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole?
The canonical SMILES for 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole is CCN1C(c2ccccc2)=C(c2ccccc2)N(Cc2ccccc2)C1c1cc(C)cc(C)c1.
What is the InChIKey of 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole?
The InChIKey is VGNZEXUQMATBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2/c1-4-33-30(27-16-10-6-11-17-27)31(28-18-12-7-13-19-28)34(23-26-14-8-5-9-15-26)32(33)29-21-24(2)20-25(3)22-29/h5-22,32H,4,23H2,1-3H3.
What are the key properties of 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole?
1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole has a molecular weight of 444.62 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole is sourced from PubChem (CID 175317276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).