2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole

C15H26N2 — CID 69133066

IUPAC2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCCCCCCCC1=NCC(CC=C)N1
InChIInChI=1S/C15H26N2/c1-3-5-6-7-8-9-10-12-15-16-13-14(17-15)11-4-2/h3-4,14H,1-2,5-13H2,(H,16,17)
InChIKeyFALPUVMPKSSBAY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.85
Rot. Bonds10

About 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole

2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 69133066) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID69133066
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCCCCCCCC1=NCC(CC=C)N1
InChIInChI=1S/C15H26N2/c1-3-5-6-7-8-9-10-12-15-16-13-14(17-15)11-4-2/h3-4,14H,1-2,5-13H2,(H,16,17)
InChIKeyFALPUVMPKSSBAY-UHFFFAOYSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
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4-hept-6-enyl-2H-triazole
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CID 71327503

Frequently Asked Questions

What is the IUPAC name of 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole (CID 69133066) is 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole is C=CCCCCCCCC1=NCC(CC=C)N1.
What is the InChIKey of 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is FALPUVMPKSSBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-5-6-7-8-9-10-12-15-16-13-14(17-15)11-4-2/h3-4,14H,1-2,5-13H2,(H,16,17).
What are the key properties of 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole?
2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 234.39 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 69133066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).