2-[(E)-heptadec-8-enyl]-1H-imidazole

C20H36N2 — CID 44582982

IUPAC2-[(E)-heptadec-8-enyl]-1H-imidazole
SMILESCCCCCCCC/C=C/CCCCCCCc1ncc[nH]1
InChIInChI=1S/C20H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10,18-19H,2-8,11-17H2,1H3,(H,21,22)/b10-9+
InChIKeyIFMXMMLMDSHQFR-MDZDMXLPSA-N
MW304.52 g/mol
LogP6.60
Rot. Bonds15

About 2-[(E)-heptadec-8-enyl]-1H-imidazole

2-[(E)-heptadec-8-enyl]-1H-imidazole (PubChem CID 44582982) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-[(E)-heptadec-8-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-heptadec-8-enyl]-1H-imidazole
PubChem CID44582982
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name2-[(E)-heptadec-8-enyl]-1H-imidazole
SMILESCCCCCCCC/C=C/CCCCCCCc1ncc[nH]1
InChIInChI=1S/C20H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10,18-19H,2-8,11-17H2,1H3,(H,21,22)/b10-9+
InChIKeyIFMXMMLMDSHQFR-MDZDMXLPSA-N
XLogP6.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-heptadec-8-enyl]-1H-imidazole?
The IUPAC name of 2-[(E)-heptadec-8-enyl]-1H-imidazole (CID 44582982) is 2-[(E)-heptadec-8-enyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-heptadec-8-enyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-heptadec-8-enyl]-1H-imidazole is CCCCCCCC/C=C/CCCCCCCc1ncc[nH]1.
What is the InChIKey of 2-[(E)-heptadec-8-enyl]-1H-imidazole?
The InChIKey is IFMXMMLMDSHQFR-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10,18-19H,2-8,11-17H2,1H3,(H,21,22)/b10-9+.
What are the key properties of 2-[(E)-heptadec-8-enyl]-1H-imidazole?
2-[(E)-heptadec-8-enyl]-1H-imidazole has a molecular weight of 304.52 g/mol, XLogP of 6.60, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-heptadec-8-enyl]-1H-imidazole is sourced from PubChem (CID 44582982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).