1-propoxy-4,5-dihydroimidazole

C6H12N2O — CID 151892094

IUPAC1-propoxy-4,5-dihydroimidazole
SMILESCCCON1C=NCC1
InChIInChI=1S/C6H12N2O/c1-2-5-9-8-4-3-7-6-8/h6H,2-5H2,1H3
InChIKeySQYCZLUXBRUJFR-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.67
Rot. Bonds3

About 1-propoxy-4,5-dihydroimidazole

1-propoxy-4,5-dihydroimidazole (PubChem CID 151892094) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-propoxy-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-propoxy-4,5-dihydroimidazole
PubChem CID151892094
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-propoxy-4,5-dihydroimidazole
SMILESCCCON1C=NCC1
InChIInChI=1S/C6H12N2O/c1-2-5-9-8-4-3-7-6-8/h6H,2-5H2,1H3
InChIKeySQYCZLUXBRUJFR-UHFFFAOYSA-N
XLogP0.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4,5-dihydroimidazole?
The IUPAC name of 1-propoxy-4,5-dihydroimidazole (CID 151892094) is 1-propoxy-4,5-dihydroimidazole.
What is the SMILES notation for 1-propoxy-4,5-dihydroimidazole?
The canonical SMILES for 1-propoxy-4,5-dihydroimidazole is CCCON1C=NCC1.
What is the InChIKey of 1-propoxy-4,5-dihydroimidazole?
The InChIKey is SQYCZLUXBRUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-9-8-4-3-7-6-8/h6H,2-5H2,1H3.
What are the key properties of 1-propoxy-4,5-dihydroimidazole?
1-propoxy-4,5-dihydroimidazole has a molecular weight of 128.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4,5-dihydroimidazole is sourced from PubChem (CID 151892094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).