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

C23H44N2 — CID 67674679

IUPAC5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCC(CC)N1
InChIInChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22(4-2)25-23/h11-12,22H,3-10,13-21H2,1-2H3,(H,24,25)/b12-11-
InChIKeyDKQIIGKYZUPSQQ-QXMHVHEDSA-N
MW348.62 g/mol
LogP7.19
Rot. Bonds17

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

5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 67674679) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
PubChem CID67674679
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCC(CC)N1
InChIInChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22(4-2)25-23/h11-12,22H,3-10,13-21H2,1-2H3,(H,24,25)/b12-11-
InChIKeyDKQIIGKYZUPSQQ-QXMHVHEDSA-N
XLogP7.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.19
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 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole (CID 67674679) is 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole is CCCCCCCC/C=C\CCCCCCCCC1=NCC(CC)N1.
What is the InChIKey of 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DKQIIGKYZUPSQQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22(4-2)25-23/h11-12,22H,3-10,13-21H2,1-2H3,(H,24,25)/b12-11-.
What are the key properties of 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole?
5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 348.62 g/mol, XLogP of 7.19, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 67674679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).