2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole

C23H44N2 — CID 88715679

IUPAC2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCC(C)(CC)C1=NCCN1
InChIInChI=1S/C23H44N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,5-2)22-24-20-21-25-22/h12-13H,4-11,14-21H2,1-3H3,(H,24,25)/b13-12-
InChIKeyCCYZSTDHKOVTAS-SEYXRHQNSA-N
MW348.62 g/mol
LogP7.05
Rot. Bonds16

About 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole

2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 88715679) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID88715679
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C\CCCCCCC(C)(CC)C1=NCCN1
InChIInChI=1S/C23H44N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,5-2)22-24-20-21-25-22/h12-13H,4-11,14-21H2,1-3H3,(H,24,25)/b13-12-
InChIKeyCCYZSTDHKOVTAS-SEYXRHQNSA-N
XLogP7.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.05
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)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole (CID 88715679) is 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole is CCCCCCCC/C=C\CCCCCCC(C)(CC)C1=NCCN1.
What is the InChIKey of 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is CCYZSTDHKOVTAS-SEYXRHQNSA-N. The full InChI is InChI=1S/C23H44N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,5-2)22-24-20-21-25-22/h12-13H,4-11,14-21H2,1-3H3,(H,24,25)/b13-12-.
What are the key properties of 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole?
2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 348.62 g/mol, XLogP of 7.05, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 88715679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).