4,5-diphenyl-1H-imidazole

C30H24N4 — CID 139066803

IUPAC4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc[nH]c2-c2ccccc2)cc1.c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
InChIInChI=1S/2C15H12N2/c2*1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h2*1-11H,(H,16,17)
InChIKeyMNNOZKGCWYQQSS-UHFFFAOYSA-N
MW440.55 g/mol
LogP7.49
Rot. Bonds4

About 4,5-diphenyl-1H-imidazole

4,5-diphenyl-1H-imidazole (PubChem CID 139066803) has the molecular formula C30H24N4 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-1H-imidazole
PubChem CID139066803
Molecular FormulaC30H24N4
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc[nH]c2-c2ccccc2)cc1.c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
InChIInChI=1S/2C15H12N2/c2*1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h2*1-11H,(H,16,17)
InChIKeyMNNOZKGCWYQQSS-UHFFFAOYSA-N
XLogP7.49
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1H-imidazole?
The IUPAC name of 4,5-diphenyl-1H-imidazole (CID 139066803) is 4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-1H-imidazole is c1ccc(-c2nc[nH]c2-c2ccccc2)cc1.c1ccc(-c2nc[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1H-imidazole?
The InChIKey is MNNOZKGCWYQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N2/c2*1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h2*1-11H,(H,16,17).
What are the key properties of 4,5-diphenyl-1H-imidazole?
4,5-diphenyl-1H-imidazole has a molecular weight of 440.55 g/mol, XLogP of 7.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 139066803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).