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

C9H18N2O — CID 67437009

IUPAC1-(3-methoxybutyl)-3-methyl-2H-imidazole
SMILESCOC(C)CCN1C=CN(C)C1
InChIInChI=1S/C9H18N2O/c1-9(12-3)4-5-11-7-6-10(2)8-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRWTZQWNVFDWVEL-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.09
Rot. Bonds4

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

1-(3-methoxybutyl)-3-methyl-2H-imidazole (PubChem CID 67437009) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3-methoxybutyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(3-methoxybutyl)-3-methyl-2H-imidazole
PubChem CID67437009
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3-methoxybutyl)-3-methyl-2H-imidazole
SMILESCOC(C)CCN1C=CN(C)C1
InChIInChI=1S/C9H18N2O/c1-9(12-3)4-5-11-7-6-10(2)8-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRWTZQWNVFDWVEL-UHFFFAOYSA-N
XLogP1.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(3-methoxybutyl)-3-methyl-2H-imidazole (CID 67437009) is 1-(3-methoxybutyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(3-methoxybutyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(3-methoxybutyl)-3-methyl-2H-imidazole is COC(C)CCN1C=CN(C)C1.
What is the InChIKey of 1-(3-methoxybutyl)-3-methyl-2H-imidazole?
The InChIKey is RWTZQWNVFDWVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(12-3)4-5-11-7-6-10(2)8-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-methoxybutyl)-3-methyl-2H-imidazole?
1-(3-methoxybutyl)-3-methyl-2H-imidazole has a molecular weight of 170.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 67437009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).