1-(4-methoxybutyl)-4,5-dimethylimidazole

C10H18N2O — CID 54103247

IUPAC1-(4-methoxybutyl)-4,5-dimethylimidazole
SMILESCOCCCCn1cnc(C)c1C
InChIInChI=1S/C10H18N2O/c1-9-10(2)12(8-11-9)6-4-5-7-13-3/h8H,4-7H2,1-3H3
InChIKeySKMURSQJCXVPOE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.93
Rot. Bonds5

About 1-(4-methoxybutyl)-4,5-dimethylimidazole

1-(4-methoxybutyl)-4,5-dimethylimidazole (PubChem CID 54103247) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(4-methoxybutyl)-4,5-dimethylimidazole
PubChem CID54103247
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(4-methoxybutyl)-4,5-dimethylimidazole
SMILESCOCCCCn1cnc(C)c1C
InChIInChI=1S/C10H18N2O/c1-9-10(2)12(8-11-9)6-4-5-7-13-3/h8H,4-7H2,1-3H3
InChIKeySKMURSQJCXVPOE-UHFFFAOYSA-N
XLogP1.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.93
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

1,4,5-Trimethyl-1H-imidazole
CID 573598
1,3,4,5-Tetramethylimidazol-1-ium
CID 5252105
4,5-Dimethyl-1-propan-2-ylimidazole
CID 11988730
1-Ethyl-3,4,5-trimethylimidazol-3-ium chloride
CID 139176859
4,5-Dimethyl-1-[2-(oxan-4-yl)ethyl]imidazole
CID 137955691
1-(2-Fluoroethyl)-4,5-dimethylimidazole
CID 115694990
4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium;oxomethylidenephosphanide
CID 139174505
1-Ethyl-3,4,5-trimethylimidazol-3-ium;hydrogen carbonate
CID 139176858
1,3-Dihexyl-4,5-dimethylimidazol-1-ium;bromide;hydrate
CID 139196781
4,5-Dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole
CID 106706325
4,5-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
CID 115624803
4,5-Dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
CID 115626400

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(4-methoxybutyl)-4,5-dimethylimidazole (CID 54103247) is 1-(4-methoxybutyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(4-methoxybutyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(4-methoxybutyl)-4,5-dimethylimidazole is COCCCCn1cnc(C)c1C.
What is the InChIKey of 1-(4-methoxybutyl)-4,5-dimethylimidazole?
The InChIKey is SKMURSQJCXVPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-10(2)12(8-11-9)6-4-5-7-13-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(4-methoxybutyl)-4,5-dimethylimidazole?
1-(4-methoxybutyl)-4,5-dimethylimidazole has a molecular weight of 182.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-4,5-dimethylimidazole is sourced from PubChem (CID 54103247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).