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

C10H20N2O — CID 66835312

IUPAC1-butyl-3-(2-methoxyethyl)-2H-imidazole
SMILESCCCCN1C=CN(CCOC)C1
InChIInChI=1S/C10H20N2O/c1-3-4-5-11-6-7-12(10-11)8-9-13-2/h6-7H,3-5,8-10H2,1-2H3
InChIKeyMISHTFGGMWXTOT-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.48
Rot. Bonds6

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

1-butyl-3-(2-methoxyethyl)-2H-imidazole (PubChem CID 66835312) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-butyl-3-(2-methoxyethyl)-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-(2-methoxyethyl)-2H-imidazole
PubChem CID66835312
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-butyl-3-(2-methoxyethyl)-2H-imidazole
SMILESCCCCN1C=CN(CCOC)C1
InChIInChI=1S/C10H20N2O/c1-3-4-5-11-6-7-12(10-11)8-9-13-2/h6-7H,3-5,8-10H2,1-2H3
InChIKeyMISHTFGGMWXTOT-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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methoxyethyl)-2H-imidazole?
The IUPAC name of 1-butyl-3-(2-methoxyethyl)-2H-imidazole (CID 66835312) is 1-butyl-3-(2-methoxyethyl)-2H-imidazole.
What is the SMILES notation for 1-butyl-3-(2-methoxyethyl)-2H-imidazole?
The canonical SMILES for 1-butyl-3-(2-methoxyethyl)-2H-imidazole is CCCCN1C=CN(CCOC)C1.
What is the InChIKey of 1-butyl-3-(2-methoxyethyl)-2H-imidazole?
The InChIKey is MISHTFGGMWXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-11-6-7-12(10-11)8-9-13-2/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of 1-butyl-3-(2-methoxyethyl)-2H-imidazole?
1-butyl-3-(2-methoxyethyl)-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-butyl-3-(2-methoxyethyl)-2H-imidazole is sourced from PubChem (CID 66835312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).