1-butyl-3-(methoxymethyl)-2H-imidazole

C9H18N2O — CID 68589891

IUPAC1-butyl-3-(methoxymethyl)-2H-imidazole
SMILESCCCCN1C=CN(COC)C1
InChIInChI=1S/C9H18N2O/c1-3-4-5-10-6-7-11(8-10)9-12-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyWJZVEIAEAPHEPG-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.44
Rot. Bonds5

About 1-butyl-3-(methoxymethyl)-2H-imidazole

1-butyl-3-(methoxymethyl)-2H-imidazole (PubChem CID 68589891) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-butyl-3-(methoxymethyl)-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-(methoxymethyl)-2H-imidazole
PubChem CID68589891
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-butyl-3-(methoxymethyl)-2H-imidazole
SMILESCCCCN1C=CN(COC)C1
InChIInChI=1S/C9H18N2O/c1-3-4-5-10-6-7-11(8-10)9-12-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyWJZVEIAEAPHEPG-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(methoxymethyl)-2H-imidazole?
The IUPAC name of 1-butyl-3-(methoxymethyl)-2H-imidazole (CID 68589891) is 1-butyl-3-(methoxymethyl)-2H-imidazole.
What is the SMILES notation for 1-butyl-3-(methoxymethyl)-2H-imidazole?
The canonical SMILES for 1-butyl-3-(methoxymethyl)-2H-imidazole is CCCCN1C=CN(COC)C1.
What is the InChIKey of 1-butyl-3-(methoxymethyl)-2H-imidazole?
The InChIKey is WJZVEIAEAPHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-10-6-7-11(8-10)9-12-2/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-butyl-3-(methoxymethyl)-2H-imidazole?
1-butyl-3-(methoxymethyl)-2H-imidazole has a molecular weight of 170.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(methoxymethyl)-2H-imidazole is sourced from PubChem (CID 68589891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).