5-propoxy-1H-imidazole

C6H10N2O — CID 19600407

IUPAC5-propoxy-1H-imidazole
SMILESCCCOc1cnc[nH]1
InChIInChI=1S/C6H10N2O/c1-2-3-9-6-4-7-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyMYAHXELEBXQOIK-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.20
Rot. Bonds3

About 5-propoxy-1H-imidazole

5-propoxy-1H-imidazole (PubChem CID 19600407) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-propoxy-1H-imidazole.

Molecular Properties

Compound Name5-propoxy-1H-imidazole
PubChem CID19600407
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-propoxy-1H-imidazole
SMILESCCCOc1cnc[nH]1
InChIInChI=1S/C6H10N2O/c1-2-3-9-6-4-7-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyMYAHXELEBXQOIK-UHFFFAOYSA-N
XLogP1.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propoxy-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-1H-imidazole?
The IUPAC name of 5-propoxy-1H-imidazole (CID 19600407) is 5-propoxy-1H-imidazole.
What is the SMILES notation for 5-propoxy-1H-imidazole?
The canonical SMILES for 5-propoxy-1H-imidazole is CCCOc1cnc[nH]1.
What is the InChIKey of 5-propoxy-1H-imidazole?
The InChIKey is MYAHXELEBXQOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-9-6-4-7-5-8-6/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 5-propoxy-1H-imidazole?
5-propoxy-1H-imidazole has a molecular weight of 126.16 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-1H-imidazole is sourced from PubChem (CID 19600407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).