1-(3,3-diphenyloxiran-2-yl)imidazole

C17H14N2O — CID 3061550

IUPAC1-(3,3-diphenyloxiran-2-yl)imidazole
SMILESc1ccc(C2(c3ccccc3)OC2n2ccnc2)cc1
InChIInChI=1S/C17H14N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16(20-17)19-12-11-18-13-19/h1-13,16H
InChIKeyLPIODRBNQNYRBK-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.36
Rot. Bonds3

About 1-(3,3-diphenyloxiran-2-yl)imidazole

1-(3,3-diphenyloxiran-2-yl)imidazole (PubChem CID 3061550) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3,3-diphenyloxiran-2-yl)imidazole.

Molecular Properties

Compound Name1-(3,3-diphenyloxiran-2-yl)imidazole
PubChem CID3061550
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(3,3-diphenyloxiran-2-yl)imidazole
SMILESc1ccc(C2(c3ccccc3)OC2n2ccnc2)cc1
InChIInChI=1S/C17H14N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16(20-17)19-12-11-18-13-19/h1-13,16H
InChIKeyLPIODRBNQNYRBK-UHFFFAOYSA-N
XLogP3.36
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenyloxiran-2-yl)imidazole?
The IUPAC name of 1-(3,3-diphenyloxiran-2-yl)imidazole (CID 3061550) is 1-(3,3-diphenyloxiran-2-yl)imidazole.
What is the SMILES notation for 1-(3,3-diphenyloxiran-2-yl)imidazole?
The canonical SMILES for 1-(3,3-diphenyloxiran-2-yl)imidazole is c1ccc(C2(c3ccccc3)OC2n2ccnc2)cc1.
What is the InChIKey of 1-(3,3-diphenyloxiran-2-yl)imidazole?
The InChIKey is LPIODRBNQNYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16(20-17)19-12-11-18-13-19/h1-13,16H.
What are the key properties of 1-(3,3-diphenyloxiran-2-yl)imidazole?
1-(3,3-diphenyloxiran-2-yl)imidazole has a molecular weight of 262.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenyloxiran-2-yl)imidazole is sourced from PubChem (CID 3061550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).