(Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride

C41H78ClN3O — CID 173219048

About (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride

(Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride (PubChem CID 173219048) has the molecular formula C41H78ClN3O and a molecular weight of 664.55 g/mol. Its IUPAC name is (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride.

Molecular Properties

• Compound Name: (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride
• PubChem CID: 173219048
• Molecular Formula: C41H78ClN3O
• Molecular Weight: 664.55 g/mol
• Exact Mass: 663.58
• IUPAC Name: (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride
• SMILES: CCCCCCCC/C=C\CCCCCCCCC1=NCCN1CCNC(=O)CCCCCCC/C=C\CCCCCCCC.Cl
• InChI: InChI=1S/C41H77N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40-42-36-38-44(40)39-37-43-41(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2;/h17-20H,3-16,21-39H2,1-2H3,(H,43,45);1H/b19-17-,20-18-
• InChIKey: WVLLOXKTPQVKHI-AWLASTDMSA-N
• XLogP: 12.70
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 34
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.55
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride?

The IUPAC name of (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride (CID 173219048) is (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride.

What is the SMILES notation for (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride?

The canonical SMILES for (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride is CCCCCCCC/C=C\CCCCCCCCC1=NCCN1CCNC(=O)CCCCCCC/C=C\CCCCCCCC.Cl.

What is the InChIKey of (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride?

The InChIKey is WVLLOXKTPQVKHI-AWLASTDMSA-N. The full InChI is InChI=1S/C41H77N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40-42-36-38-44(40)39-37-43-41(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2;/h17-20H,3-16,21-39H2,1-2H3,(H,43,45);1H/b19-17-,20-18-;.

What are the key properties of (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride?

(Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride has a molecular weight of 664.55 g/mol, XLogP of 12.70, 34 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride is sourced from PubChem (CID 173219048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).