1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole

C13H22N2 — CID 102297528

IUPAC1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole
SMILESCCC/C=C(\CCC)c1cnc(C)n1C
InChIInChI=1S/C13H22N2/c1-5-7-9-12(8-6-2)13-10-14-11(3)15(13)4/h9-10H,5-8H2,1-4H3/b12-9+
InChIKeyWKBPGFAMWCIHEZ-FMIVXFBMSA-N
MW206.33 g/mol
LogP3.71
Rot. Bonds5

About 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole

1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole (PubChem CID 102297528) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole
PubChem CID102297528
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole
SMILESCCC/C=C(\CCC)c1cnc(C)n1C
InChIInChI=1S/C13H22N2/c1-5-7-9-12(8-6-2)13-10-14-11(3)15(13)4/h9-10H,5-8H2,1-4H3/b12-9+
InChIKeyWKBPGFAMWCIHEZ-FMIVXFBMSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole 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

4-(1h-Imidazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 24729202
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-
CID 6442774
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(2-methylpropyl)-, (E)-
CID 6442784
4-[4-(5-Fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine
CID 118297224
5-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-methylimidazole
CID 129296647
5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
CID 130459148
1-[(3E,5Z)-7-bromo-2-fluoroocta-3,5,7-trien-4-yl]-2-(2-butan-2-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-prop-1-en-2-ylimidazole
CID 134286816
(2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine
CID 134291827
4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine
CID 134292061
6-[1-(2,3-dimethylimidazol-4-yl)ethenyl]-4-fluoro-2,8a-dimethyl-3-(2-methylpropyl)-8H-quinoline
CID 138637039
7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole
CID 139334402
1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole
CID 143163437

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole?
The IUPAC name of 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole (CID 102297528) is 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole.
What is the SMILES notation for 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole?
The canonical SMILES for 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole is CCC/C=C(\CCC)c1cnc(C)n1C.
What is the InChIKey of 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole?
The InChIKey is WKBPGFAMWCIHEZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-7-9-12(8-6-2)13-10-14-11(3)15(13)4/h9-10H,5-8H2,1-4H3/b12-9+.
What are the key properties of 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole?
1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole has a molecular weight of 206.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole is sourced from PubChem (CID 102297528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).