2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole

C10H16N2 — CID 101024438

IUPAC2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
SMILESC/C=C/C=C/CCC1=NCCN1
InChIInChI=1S/C10H16N2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-5H,6-9H2,1H3,(H,11,12)/b3-2+,5-4+
InChIKeySUBVIRCRLGSVAA-MQQKCMAXSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds4

About 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole

2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole (PubChem CID 101024438) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
PubChem CID101024438
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
SMILESC/C=C/C=C/CCC1=NCCN1
InChIInChI=1S/C10H16N2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-5H,6-9H2,1H3,(H,11,12)/b3-2+,5-4+
InChIKeySUBVIRCRLGSVAA-MQQKCMAXSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-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

2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
Heptadecenylimidazoline
CID 6435860
1H-Imidazole, 4,5-dihydro-2-(9Z)-9-octadecenyl-
CID 6435905
Oleyl imidazoline
CID 6436530
2-but-3-enyl-4,5-dihydro-1H-imidazole
CID 21608198
2-[(E)-pent-1-enyl]-4,5-dihydro-1H-imidazole
CID 21608209
4,5-Dihydro-2-(9-octadecenyl)-1H-imidazole
CID 6365709
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
2-heptadec-2-enyl-4,5-dihydro-1H-imidazole
CID 61883
2-heptadec-8-enyl-4,5-dihydro-1H-imidazole
CID 88995
2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole
CID 13117048
2-[2-[(5E,7E)-heptadeca-5,7-dienyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 20511016

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole (CID 101024438) is 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole is C/C=C/C=C/CCC1=NCCN1.
What is the InChIKey of 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole?
The InChIKey is SUBVIRCRLGSVAA-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-5H,6-9H2,1H3,(H,11,12)/b3-2+,5-4+.
What are the key properties of 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole?
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 101024438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).