2-ethyl-1-(oxiran-2-ylmethyl)imidazole

C8H12N2O — CID 61404960

IUPAC2-ethyl-1-(oxiran-2-ylmethyl)imidazole
SMILESCCc1nccn1CC1CO1
InChIInChI=1S/C8H12N2O/c1-2-8-9-3-4-10(8)5-7-6-11-7/h3-4,7H,2,5-6H2,1H3
InChIKeyIUTZLEFJQHCXNX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.84
Rot. Bonds3

About 2-ethyl-1-(oxiran-2-ylmethyl)imidazole

2-ethyl-1-(oxiran-2-ylmethyl)imidazole (PubChem CID 61404960) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethyl-1-(oxiran-2-ylmethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(oxiran-2-ylmethyl)imidazole
PubChem CID61404960
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethyl-1-(oxiran-2-ylmethyl)imidazole
SMILESCCc1nccn1CC1CO1
InChIInChI=1S/C8H12N2O/c1-2-8-9-3-4-10(8)5-7-6-11-7/h3-4,7H,2,5-6H2,1H3
InChIKeyIUTZLEFJQHCXNX-UHFFFAOYSA-N
XLogP0.84
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.84
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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Related Compounds

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ethane;2-ethyl-1-(2-methoxyethyl)imidazole
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1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
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1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
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2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxiran-2-ylmethyl)imidazole?
The IUPAC name of 2-ethyl-1-(oxiran-2-ylmethyl)imidazole (CID 61404960) is 2-ethyl-1-(oxiran-2-ylmethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(oxiran-2-ylmethyl)imidazole?
The canonical SMILES for 2-ethyl-1-(oxiran-2-ylmethyl)imidazole is CCc1nccn1CC1CO1.
What is the InChIKey of 2-ethyl-1-(oxiran-2-ylmethyl)imidazole?
The InChIKey is IUTZLEFJQHCXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-8-9-3-4-10(8)5-7-6-11-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-ethyl-1-(oxiran-2-ylmethyl)imidazole?
2-ethyl-1-(oxiran-2-ylmethyl)imidazole has a molecular weight of 152.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxiran-2-ylmethyl)imidazole is sourced from PubChem (CID 61404960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).