2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane

C15H20N2O2 — CID 160958615

IUPAC2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane
SMILESCCc1ncc(C)[nH]1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O2.C6H10N2/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-3-6-7-4-5(2)8-6/h1-5,9H,6-7H2;4H,3H2,1-2H3,(H,7,8)
InChIKeySWSKZUQXAJMCIR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.74
Rot. Bonds4

About 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane

2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane (PubChem CID 160958615) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane
PubChem CID160958615
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane
SMILESCCc1ncc(C)[nH]1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O2.C6H10N2/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-3-6-7-4-5(2)8-6/h1-5,9H,6-7H2;4H,3H2,1-2H3,(H,7,8)
InChIKeySWSKZUQXAJMCIR-UHFFFAOYSA-N
XLogP2.74
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
ethene;2-(phenoxymethyl)oxirane
CID 135283522
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(2-(phenoxymethyl)oxirane)
CID 161223554
anisole;bis(1,4-diethylbenzene);ethane;2-(phenoxymethyl)oxirane
CID 157404287
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2,3-dimethylbutane;tris(2-(phenoxymethyl)oxirane);4-phenyldioxolane
CID 158711224

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane?
The IUPAC name of 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane (CID 160958615) is 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane is CCc1ncc(C)[nH]1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane?
The InChIKey is SWSKZUQXAJMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H10N2/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-3-6-7-4-5(2)8-6/h1-5,9H,6-7H2;4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane?
2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane has a molecular weight of 260.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane is sourced from PubChem (CID 160958615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).