1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole

C16H20N2O — CID 67055639

IUPAC1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole
SMILESC=CCOc1ccccc1-c1cncn1CC(C)C
InChIInChI=1S/C16H20N2O/c1-4-9-19-16-8-6-5-7-14(16)15-10-17-12-18(15)11-13(2)3/h4-8,10,12-13H,1,9,11H2,2-3H3
InChIKeyJIUIPXWBANXMDS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.77
Rot. Bonds6

About 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole

1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole (PubChem CID 67055639) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole
PubChem CID67055639
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole
SMILESC=CCOc1ccccc1-c1cncn1CC(C)C
InChIInChI=1S/C16H20N2O/c1-4-9-19-16-8-6-5-7-14(16)15-10-17-12-18(15)11-13(2)3/h4-8,10,12-13H,1,9,11H2,2-3H3
InChIKeyJIUIPXWBANXMDS-UHFFFAOYSA-N
XLogP3.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)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 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole?
The IUPAC name of 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole (CID 67055639) is 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole.
What is the SMILES notation for 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole?
The canonical SMILES for 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole is C=CCOc1ccccc1-c1cncn1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole?
The InChIKey is JIUIPXWBANXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-9-19-16-8-6-5-7-14(16)15-10-17-12-18(15)11-13(2)3/h4-8,10,12-13H,1,9,11H2,2-3H3.
What are the key properties of 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole?
1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole has a molecular weight of 256.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole is sourced from PubChem (CID 67055639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).