2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole

C11H18N2 — CID 11480793

IUPAC2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole
SMILESC=CCCC(CC=C)C1=NCCN1
InChIInChI=1S/C11H18N2/c1-3-5-7-10(6-4-2)11-12-8-9-13-11/h3-4,10H,1-2,5-9H2,(H,12,13)
InChIKeySZZNNIALPXGDPB-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds6

About 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole

2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole (PubChem CID 11480793) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole
PubChem CID11480793
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole
SMILESC=CCCC(CC=C)C1=NCCN1
InChIInChI=1S/C11H18N2/c1-3-5-7-10(6-4-2)11-12-8-9-13-11/h3-4,10H,1-2,5-9H2,(H,12,13)
InChIKeySZZNNIALPXGDPB-UHFFFAOYSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hepta-1,6-dien-4-yl-4,5-dihydro-1H-imidazole
CID 21608200
2-dec-9-enyl-4,5-dihydro-1H-imidazole
CID 12535967
2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 19790568
2,4-Diethyl-5,5-bis(prop-2-enyl)-1,4-dihydroimidazole
CID 19848556
4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 54478037
2-octadec-9-en-5-yl-4,5-dihydro-1H-imidazole
CID 56999189
2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole
CID 67829077
2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole
CID 69114878
2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 69133066
(Z)-4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 69528677
1-(4,5-dihydro-1H-imidazol-2-yl)-N-prop-2-enylpent-4-en-1-amine
CID 69634165
3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine
CID 70518344

Frequently Asked Questions

What is the IUPAC name of 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole (CID 11480793) is 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole is C=CCCC(CC=C)C1=NCCN1.
What is the InChIKey of 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole?
The InChIKey is SZZNNIALPXGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-7-10(6-4-2)11-12-8-9-13-11/h3-4,10H,1-2,5-9H2,(H,12,13).
What are the key properties of 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole?
2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole has a molecular weight of 178.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11480793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).