2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole

C21H40N2 — CID 6435905

IUPAC2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1
InChIInChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h9-10H,2-8,11-20H2,1H3,(H,22,23)/b10-9-
InChIKeyQULUVEPNTKJBMR-KTKRTIGZSA-N
MW320.57 g/mol
LogP6.42
Rot. Bonds16

About 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 6435905) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
PubChem CID6435905
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1
InChIInChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h9-10H,2-8,11-20H2,1H3,(H,22,23)/b10-9-
InChIKeyQULUVEPNTKJBMR-KTKRTIGZSA-N
XLogP6.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.42
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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole (CID 6435905) is 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole is CCCCCCCC/C=C\CCCCCCCCC1=NCCN1.
What is the InChIKey of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QULUVEPNTKJBMR-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h9-10H,2-8,11-20H2,1H3,(H,22,23)/b10-9-.
What are the key properties of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 320.57 g/mol, XLogP of 6.42, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 6435905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).