1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole

C13H24N2O — CID 22891077

IUPAC1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole
SMILESCC(C)CCCOc1ncc(C(C)C)n1C
InChIInChI=1S/C13H24N2O/c1-10(2)7-6-8-16-13-14-9-12(11(3)4)15(13)5/h9-11H,6-8H2,1-5H3
InChIKeyZYXYAZQMFXTEAP-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.36
Rot. Bonds6

About 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole

1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole (PubChem CID 22891077) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole.

Molecular Properties

Compound Name1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole
PubChem CID22891077
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole
SMILESCC(C)CCCOc1ncc(C(C)C)n1C
InChIInChI=1S/C13H24N2O/c1-10(2)7-6-8-16-13-14-9-12(11(3)4)15(13)5/h9-11H,6-8H2,1-5H3
InChIKeyZYXYAZQMFXTEAP-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-Ethyl-tetrahydro-furan-3-ylmethyl)-1-methyl-1H-imidazole
CID 44323857
(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
CID 71716729
1-Cyclopropylmethyl-5-isobutyl-1H-imidazole
CID 10329901
1,4-Di(propan-2-yl)imidazole
CID 10012104
1-Ethyl-4-isopropyl-1H-imidazole
CID 10057571
1-Tert-butyl-4-propan-2-ylimidazole
CID 10329677
1,5-Di(propan-2-yl)-1H-imidazole
CID 12361267
1-Butyl-4-ethylimidazole
CID 15643148
5-Isopropyl-1-methyl-1H-imidazole
CID 22949817
1-(tert-Butyl)-4-ethyl-1H-imidazole
CID 45088333
1-Methyl-5-(oxan-4-yl)imidazole
CID 154718097
1-(2-Fluoropropyl)-4-propan-2-ylimidazole
CID 58213380

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole?
The IUPAC name of 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole (CID 22891077) is 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole.
What is the SMILES notation for 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole?
The canonical SMILES for 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole is CC(C)CCCOc1ncc(C(C)C)n1C.
What is the InChIKey of 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole?
The InChIKey is ZYXYAZQMFXTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)7-6-8-16-13-14-9-12(11(3)4)15(13)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole?
1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole has a molecular weight of 224.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpentoxy)-5-propan-2-ylimidazole is sourced from PubChem (CID 22891077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).