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

C9H18N2O — CID 66835316

IUPAC1-(2-methoxyethyl)-3-propyl-2H-imidazole
SMILESCCCN1C=CN(CCOC)C1
InChIInChI=1S/C9H18N2O/c1-3-4-10-5-6-11(9-10)7-8-12-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWQORCGAPXZIPNN-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.09
Rot. Bonds5

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

1-(2-methoxyethyl)-3-propyl-2H-imidazole (PubChem CID 66835316) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propyl-2H-imidazole
PubChem CID66835316
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2-methoxyethyl)-3-propyl-2H-imidazole
SMILESCCCN1C=CN(CCOC)C1
InChIInChI=1S/C9H18N2O/c1-3-4-10-5-6-11(9-10)7-8-12-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWQORCGAPXZIPNN-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propyl-2H-imidazole?
The IUPAC name of 1-(2-methoxyethyl)-3-propyl-2H-imidazole (CID 66835316) is 1-(2-methoxyethyl)-3-propyl-2H-imidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propyl-2H-imidazole?
The canonical SMILES for 1-(2-methoxyethyl)-3-propyl-2H-imidazole is CCCN1C=CN(CCOC)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-propyl-2H-imidazole?
The InChIKey is WQORCGAPXZIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-10-5-6-11(9-10)7-8-12-2/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-propyl-2H-imidazole?
1-(2-methoxyethyl)-3-propyl-2H-imidazole has a molecular weight of 170.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propyl-2H-imidazole is sourced from PubChem (CID 66835316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).