1-(oxiran-2-ylmethyl)-4-phenylimidazole

C12H12N2O — CID 142123624

IUPAC1-(oxiran-2-ylmethyl)-4-phenylimidazole
SMILESc1ccc(-c2cn(CC3CO3)cn2)cc1
InChIInChI=1S/C12H12N2O/c1-2-4-10(5-3-1)12-7-14(9-13-12)6-11-8-15-11/h1-5,7,9,11H,6,8H2
InChIKeyUKCBEWXRGRKBJO-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.95
Rot. Bonds3

About 1-(oxiran-2-ylmethyl)-4-phenylimidazole

1-(oxiran-2-ylmethyl)-4-phenylimidazole (PubChem CID 142123624) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-4-phenylimidazole
PubChem CID142123624
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(oxiran-2-ylmethyl)-4-phenylimidazole
SMILESc1ccc(-c2cn(CC3CO3)cn2)cc1
InChIInChI=1S/C12H12N2O/c1-2-4-10(5-3-1)12-7-14(9-13-12)6-11-8-15-11/h1-5,7,9,11H,6,8H2
InChIKeyUKCBEWXRGRKBJO-UHFFFAOYSA-N
XLogP1.95
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.95
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-(oxiran-2-ylmethyl)-4-phenylimidazole?
The IUPAC name of 1-(oxiran-2-ylmethyl)-4-phenylimidazole (CID 142123624) is 1-(oxiran-2-ylmethyl)-4-phenylimidazole.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-4-phenylimidazole?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-4-phenylimidazole is c1ccc(-c2cn(CC3CO3)cn2)cc1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-4-phenylimidazole?
The InChIKey is UKCBEWXRGRKBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-10(5-3-1)12-7-14(9-13-12)6-11-8-15-11/h1-5,7,9,11H,6,8H2.
What are the key properties of 1-(oxiran-2-ylmethyl)-4-phenylimidazole?
1-(oxiran-2-ylmethyl)-4-phenylimidazole has a molecular weight of 200.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-4-phenylimidazole is sourced from PubChem (CID 142123624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).