1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole

C8H12N2O — CID 115410560

IUPAC1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
SMILESCn1ccnc1CCC1CO1
InChIInChI=1S/C8H12N2O/c1-10-5-4-9-8(10)3-2-7-6-11-7/h4-5,7H,2-3,6H2,1H3
InChIKeyXGPULMGHVNXJNZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.75
Rot. Bonds3

About 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole

1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole (PubChem CID 115410560) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
PubChem CID115410560
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
SMILESCn1ccnc1CCC1CO1
InChIInChI=1S/C8H12N2O/c1-10-5-4-9-8(10)3-2-7-6-11-7/h4-5,7H,2-3,6H2,1H3
InChIKeyXGPULMGHVNXJNZ-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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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4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
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azane;1-methyl-2-propylimidazole
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2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
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CID 114531169
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2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
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methanamine;1-methyl-2-propylimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole?
The IUPAC name of 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole (CID 115410560) is 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole.
What is the SMILES notation for 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole?
The canonical SMILES for 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole is Cn1ccnc1CCC1CO1.
What is the InChIKey of 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole?
The InChIKey is XGPULMGHVNXJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-5-4-9-8(10)3-2-7-6-11-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole?
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole has a molecular weight of 152.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole is sourced from PubChem (CID 115410560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).