2-methyl-1-prop-2-enyl-4,5-dihydroimidazole

C7H12N2 — CID 5324920

IUPAC2-methyl-1-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCN1CCN=C1C
InChIInChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h3H,1,4-6H2,2H3
InChIKeyHWJSHQMGNQGVJB-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.91
Rot. Bonds2

About 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole

2-methyl-1-prop-2-enyl-4,5-dihydroimidazole (PubChem CID 5324920) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-4,5-dihydroimidazole
PubChem CID5324920
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-1-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCN1CCN=C1C
InChIInChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h3H,1,4-6H2,2H3
InChIKeyHWJSHQMGNQGVJB-UHFFFAOYSA-N
XLogP0.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 22255833
CID 22255833
CID 11000365
CID 11000365
CID 22756041
CID 22756041
CID 45087215
CID 45087215
CID 53868890
CID 53868890
CID 57276437
CID 57276437
CID 66693009
CID 66693009
CID 67019107
CID 67019107
CID 67168362
CID 67168362
CID 67612137
CID 67612137
CID 67789097
CID 67789097
CID 68113509
CID 68113509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole (CID 5324920) is 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole is C=CCN1CCN=C1C.
What is the InChIKey of 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole?
The InChIKey is HWJSHQMGNQGVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h3H,1,4-6H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole?
2-methyl-1-prop-2-enyl-4,5-dihydroimidazole has a molecular weight of 124.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-4,5-dihydroimidazole is sourced from PubChem (CID 5324920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).