4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole

C12H20N2O — CID 59733268

IUPAC4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole
SMILESCCc1cn(C2OC(C)C(C)C2C)cn1
InChIInChI=1S/C12H20N2O/c1-5-11-6-14(7-13-11)12-9(3)8(2)10(4)15-12/h6-10,12H,5H2,1-4H3
InChIKeyWCNVRAHRGQEXDC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.63
Rot. Bonds2

About 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole

4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole (PubChem CID 59733268) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole.

Molecular Properties

Compound Name4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole
PubChem CID59733268
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole
SMILESCCc1cn(C2OC(C)C(C)C2C)cn1
InChIInChI=1S/C12H20N2O/c1-5-11-6-14(7-13-11)12-9(3)8(2)10(4)15-12/h6-10,12H,5H2,1-4H3
InChIKeyWCNVRAHRGQEXDC-UHFFFAOYSA-N
XLogP2.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Ethyl-tetrahydro-furan-3-ylmethyl)-1-methyl-1H-imidazole
CID 44323857
Azorous acid; 5-[(4-ethyltetrahydrofuran-3-yl)methyl]-1-methyl-imidazole
CID 176468468
1-Methyl-5-(oxan-4-yl)imidazole
CID 154718097
1-(difluoromethyl)-4-[(3R)-oxolan-3-yl]-2-propan-2-ylimidazole
CID 178716839
1-(Difluoromethyl)-4-(oxolan-3-yl)-2-propan-2-ylimidazole
CID 178720057
2-Chloro-5-(3-methylbutyl)-1-(oxan-2-yl)imidazole
CID 176422190
1-Methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole
CID 22891077
1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
CID 58864120
1-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
CID 59838387
1-(2-Methoxyethyl)-4-propan-2-ylimidazole
CID 68029805
1-(Oxan-4-yl)-4-propan-2-ylimidazole
CID 89408707
1-Methyl-4-propan-2-yl-3-(2-propoxyethyl)imidazol-1-ium
CID 121299467

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole?
The IUPAC name of 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole (CID 59733268) is 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole.
What is the SMILES notation for 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole?
The canonical SMILES for 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole is CCc1cn(C2OC(C)C(C)C2C)cn1.
What is the InChIKey of 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole?
The InChIKey is WCNVRAHRGQEXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11-6-14(7-13-11)12-9(3)8(2)10(4)15-12/h6-10,12H,5H2,1-4H3.
What are the key properties of 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole?
4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole has a molecular weight of 208.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3,4,5-trimethyloxolan-2-yl)imidazole is sourced from PubChem (CID 59733268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).