1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole

C22H17N3O2 — CID 91262383

IUPAC1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
SMILESCn1c(-c2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H17N3O2/c1-24-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)23-22(24)18-14-8-9-15-19(18)25(26)27/h2-15H,1H3
InChIKeyIIHRQCUCFGXDJX-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.33
Rot. Bonds4

About 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole

1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole (PubChem CID 91262383) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
PubChem CID91262383
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
SMILESCn1c(-c2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H17N3O2/c1-24-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)23-22(24)18-14-8-9-15-19(18)25(26)27/h2-15H,1H3
InChIKeyIIHRQCUCFGXDJX-UHFFFAOYSA-N
XLogP5.33
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole 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 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
The IUPAC name of 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole (CID 91262383) is 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole.
What is the SMILES notation for 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
The canonical SMILES for 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole is Cn1c(-c2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
The InChIKey is IIHRQCUCFGXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-24-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)23-22(24)18-14-8-9-15-19(18)25(26)27/h2-15H,1H3.
What are the key properties of 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole has a molecular weight of 355.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole is sourced from PubChem (CID 91262383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).