2-butoxy-5-prop-2-enyl-1H-imidazole

C10H16N2O — CID 22998704

IUPAC2-butoxy-5-prop-2-enyl-1H-imidazole
SMILESC=CCc1cnc(OCCCC)[nH]1
InChIInChI=1S/C10H16N2O/c1-3-5-7-13-10-11-8-9(12-10)6-4-2/h4,8H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyYQADFYWGWLAXAK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.32
Rot. Bonds6

About 2-butoxy-5-prop-2-enyl-1H-imidazole

2-butoxy-5-prop-2-enyl-1H-imidazole (PubChem CID 22998704) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-butoxy-5-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name2-butoxy-5-prop-2-enyl-1H-imidazole
PubChem CID22998704
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-butoxy-5-prop-2-enyl-1H-imidazole
SMILESC=CCc1cnc(OCCCC)[nH]1
InChIInChI=1S/C10H16N2O/c1-3-5-7-13-10-11-8-9(12-10)6-4-2/h4,8H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyYQADFYWGWLAXAK-UHFFFAOYSA-N
XLogP2.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-prop-2-enyl-1H-imidazole?
The IUPAC name of 2-butoxy-5-prop-2-enyl-1H-imidazole (CID 22998704) is 2-butoxy-5-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 2-butoxy-5-prop-2-enyl-1H-imidazole?
The canonical SMILES for 2-butoxy-5-prop-2-enyl-1H-imidazole is C=CCc1cnc(OCCCC)[nH]1.
What is the InChIKey of 2-butoxy-5-prop-2-enyl-1H-imidazole?
The InChIKey is YQADFYWGWLAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-7-13-10-11-8-9(12-10)6-4-2/h4,8H,2-3,5-7H2,1H3,(H,11,12).
What are the key properties of 2-butoxy-5-prop-2-enyl-1H-imidazole?
2-butoxy-5-prop-2-enyl-1H-imidazole has a molecular weight of 180.25 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 22998704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).