1-dibenzofuran-1-yl-2-phenylimidazole

C21H14N2O — CID 58400945

IUPAC1-dibenzofuran-1-yl-2-phenylimidazole
SMILESc1ccc(-c2nccn2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C21H14N2O/c1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19/h1-14H
InChIKeyNERBILJYKNULMO-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.44
Rot. Bonds2

About 1-dibenzofuran-1-yl-2-phenylimidazole

1-dibenzofuran-1-yl-2-phenylimidazole (PubChem CID 58400945) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-dibenzofuran-1-yl-2-phenylimidazole.

Molecular Properties

Compound Name1-dibenzofuran-1-yl-2-phenylimidazole
PubChem CID58400945
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name1-dibenzofuran-1-yl-2-phenylimidazole
SMILESc1ccc(-c2nccn2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C21H14N2O/c1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19/h1-14H
InChIKeyNERBILJYKNULMO-UHFFFAOYSA-N
XLogP5.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-1-yl-2-phenylimidazole?
The IUPAC name of 1-dibenzofuran-1-yl-2-phenylimidazole (CID 58400945) is 1-dibenzofuran-1-yl-2-phenylimidazole.
What is the SMILES notation for 1-dibenzofuran-1-yl-2-phenylimidazole?
The canonical SMILES for 1-dibenzofuran-1-yl-2-phenylimidazole is c1ccc(-c2nccn2-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-dibenzofuran-1-yl-2-phenylimidazole?
The InChIKey is NERBILJYKNULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19/h1-14H.
What are the key properties of 1-dibenzofuran-1-yl-2-phenylimidazole?
1-dibenzofuran-1-yl-2-phenylimidazole has a molecular weight of 310.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-1-yl-2-phenylimidazole is sourced from PubChem (CID 58400945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).