5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole

C15H24N2 — CID 89192507

IUPAC5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole
SMILESC=CCCC1C(C)N=C(C2=CCCCC2)N1C
InChIInChI=1S/C15H24N2/c1-4-5-11-14-12(2)16-15(17(14)3)13-9-7-6-8-10-13/h4,9,12,14H,1,5-8,10-11H2,2-3H3
InChIKeyQMZWBMUQFZZGKE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.55
Rot. Bonds4

About 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole

5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole (PubChem CID 89192507) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole
PubChem CID89192507
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole
SMILESC=CCCC1C(C)N=C(C2=CCCCC2)N1C
InChIInChI=1S/C15H24N2/c1-4-5-11-14-12(2)16-15(17(14)3)13-9-7-6-8-10-13/h4,9,12,14H,1,5-8,10-11H2,2-3H3
InChIKeyQMZWBMUQFZZGKE-UHFFFAOYSA-N
XLogP3.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
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-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole?
The IUPAC name of 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole (CID 89192507) is 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole is C=CCCC1C(C)N=C(C2=CCCCC2)N1C.
What is the InChIKey of 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole?
The InChIKey is QMZWBMUQFZZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-5-11-14-12(2)16-15(17(14)3)13-9-7-6-8-10-13/h4,9,12,14H,1,5-8,10-11H2,2-3H3.
What are the key properties of 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole?
5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole has a molecular weight of 232.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 89192507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).