2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole

C30H22N4 — CID 11840873

IUPAC2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C30H22N4/c1-5-13-22(14-6-1)27-26(21-34(33-27)25-19-11-4-12-20-25)30-31-28(23-15-7-2-8-16-23)29(32-30)24-17-9-3-10-18-24/h1-21H,(H,31,32)
InChIKeySRUGWLZRNSAQHW-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.26
Rot. Bonds5

About 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole

2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 11840873) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole
PubChem CID11840873
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C30H22N4/c1-5-13-22(14-6-1)27-26(21-34(33-27)25-19-11-4-12-20-25)30-31-28(23-15-7-2-8-16-23)29(32-30)24-17-9-3-10-18-24/h1-21H,(H,31,32)
InChIKeySRUGWLZRNSAQHW-UHFFFAOYSA-N
XLogP7.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole (CID 11840873) is 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is SRUGWLZRNSAQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c1-5-13-22(14-6-1)27-26(21-34(33-27)25-19-11-4-12-20-25)30-31-28(23-15-7-2-8-16-23)29(32-30)24-17-9-3-10-18-24/h1-21H,(H,31,32).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole?
2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 438.53 g/mol, XLogP of 7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 11840873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).