1-(4-ethoxybutyl)-3-methyl-2H-imidazole

C10H20N2O — CID 67436911

IUPAC1-(4-ethoxybutyl)-3-methyl-2H-imidazole
SMILESCCOCCCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2O/c1-3-13-9-5-4-6-12-8-7-11(2)10-12/h7-8H,3-6,9-10H2,1-2H3
InChIKeyXSTPBIHOEYOUKM-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.48
Rot. Bonds6

About 1-(4-ethoxybutyl)-3-methyl-2H-imidazole

1-(4-ethoxybutyl)-3-methyl-2H-imidazole (PubChem CID 67436911) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-3-methyl-2H-imidazole
PubChem CID67436911
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-ethoxybutyl)-3-methyl-2H-imidazole
SMILESCCOCCCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2O/c1-3-13-9-5-4-6-12-8-7-11(2)10-12/h7-8H,3-6,9-10H2,1-2H3
InChIKeyXSTPBIHOEYOUKM-UHFFFAOYSA-N
XLogP1.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(4-ethoxybutyl)-3-methyl-2H-imidazole (CID 67436911) is 1-(4-ethoxybutyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(4-ethoxybutyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(4-ethoxybutyl)-3-methyl-2H-imidazole is CCOCCCCN1C=CN(C)C1.
What is the InChIKey of 1-(4-ethoxybutyl)-3-methyl-2H-imidazole?
The InChIKey is XSTPBIHOEYOUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-13-9-5-4-6-12-8-7-11(2)10-12/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(4-ethoxybutyl)-3-methyl-2H-imidazole?
1-(4-ethoxybutyl)-3-methyl-2H-imidazole has a molecular weight of 184.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 67436911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).