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

C10H20N2O — CID 67437422

IUPAC1-(2-ethoxybutyl)-3-methyl-2H-imidazole
SMILESCCOC(CC)CN1C=CN(C)C1
InChIInChI=1S/C10H20N2O/c1-4-10(13-5-2)8-12-7-6-11(3)9-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNRHQHEDIBMVMDY-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.48
Rot. Bonds5

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

1-(2-ethoxybutyl)-3-methyl-2H-imidazole (PubChem CID 67437422) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-ethoxybutyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(2-ethoxybutyl)-3-methyl-2H-imidazole
PubChem CID67437422
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(2-ethoxybutyl)-3-methyl-2H-imidazole
SMILESCCOC(CC)CN1C=CN(C)C1
InChIInChI=1S/C10H20N2O/c1-4-10(13-5-2)8-12-7-6-11(3)9-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNRHQHEDIBMVMDY-UHFFFAOYSA-N
XLogP1.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybutyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(2-ethoxybutyl)-3-methyl-2H-imidazole (CID 67437422) is 1-(2-ethoxybutyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(2-ethoxybutyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(2-ethoxybutyl)-3-methyl-2H-imidazole is CCOC(CC)CN1C=CN(C)C1.
What is the InChIKey of 1-(2-ethoxybutyl)-3-methyl-2H-imidazole?
The InChIKey is NRHQHEDIBMVMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(13-5-2)8-12-7-6-11(3)9-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-ethoxybutyl)-3-methyl-2H-imidazole?
1-(2-ethoxybutyl)-3-methyl-2H-imidazole has a molecular weight of 184.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybutyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 67437422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).