4,5-diphenyl-2-prop-2-enyl-1H-imidazole

C18H16N2 — CID 18372145

IUPAC4,5-diphenyl-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16N2/c1-2-9-16-19-17(14-10-5-3-6-11-14)18(20-16)15-12-7-4-8-13-15/h2-8,10-13H,1,9H2,(H,19,20)
InChIKeyXLDLAKUSTRUAEZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.47
Rot. Bonds4

About 4,5-diphenyl-2-prop-2-enyl-1H-imidazole

4,5-diphenyl-2-prop-2-enyl-1H-imidazole (PubChem CID 18372145) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,5-diphenyl-2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-prop-2-enyl-1H-imidazole
PubChem CID18372145
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4,5-diphenyl-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16N2/c1-2-9-16-19-17(14-10-5-3-6-11-14)18(20-16)15-12-7-4-8-13-15/h2-8,10-13H,1,9H2,(H,19,20)
InChIKeyXLDLAKUSTRUAEZ-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-prop-2-enyl-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-prop-2-enyl-1H-imidazole (CID 18372145) is 4,5-diphenyl-2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-prop-2-enyl-1H-imidazole is C=CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4,5-diphenyl-2-prop-2-enyl-1H-imidazole?
The InChIKey is XLDLAKUSTRUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-9-16-19-17(14-10-5-3-6-11-14)18(20-16)15-12-7-4-8-13-15/h2-8,10-13H,1,9H2,(H,19,20).
What are the key properties of 4,5-diphenyl-2-prop-2-enyl-1H-imidazole?
4,5-diphenyl-2-prop-2-enyl-1H-imidazole has a molecular weight of 260.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 18372145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).