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

C19H14N2O — CID 813121

IUPAC2-(furan-2-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21)
InChIKeyMJPCBPHRCHYZRH-UHFFFAOYSA-N
MW286.33 g/mol
LogP5.00
Rot. Bonds3

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

2-(furan-2-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 813121) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-diphenyl-1H-imidazole
PubChem CID813121
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-(furan-2-yl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21)
InChIKeyMJPCBPHRCHYZRH-UHFFFAOYSA-N
XLogP5.00
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(furan-2-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole (CID 813121) is 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is MJPCBPHRCHYZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21).
What are the key properties of 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole?
2-(furan-2-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 286.33 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 813121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).