5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole

C7H12N2 — CID 66693008

IUPAC5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCC1=NCC(C)N1
InChIInChI=1S/C7H12N2/c1-3-4-7-8-5-6(2)9-7/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKeyAUFBKQIOPDYMPG-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

About 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole

5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 66693008) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID66693008
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCC1=NCC(C)N1
InChIInChI=1S/C7H12N2/c1-3-4-7-8-5-6(2)9-7/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKeyAUFBKQIOPDYMPG-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole (CID 66693008) is 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole is C=CCC1=NCC(C)N1.
What is the InChIKey of 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is AUFBKQIOPDYMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-7-8-5-6(2)9-7/h3,6H,1,4-5H2,2H3,(H,8,9).
What are the key properties of 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole?
5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 66693008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).