2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole

C23H44N2 — CID 69114878

IUPAC2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CC(CCC)C1=NCCN1
InChIInChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)23-24-20-21-25-23/h17,19,22H,3-16,18,20-21H2,1-2H3,(H,24,25)
InChIKeyMJRRTSUVLZYSLS-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.05
Rot. Bonds17

About 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole

2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole (PubChem CID 69114878) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole
PubChem CID69114878
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CC(CCC)C1=NCCN1
InChIInChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)23-24-20-21-25-23/h17,19,22H,3-16,18,20-21H2,1-2H3,(H,24,25)
InChIKeyMJRRTSUVLZYSLS-UHFFFAOYSA-N
XLogP7.05
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 ≤ 57.05
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-icos-5-en-4-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole (CID 69114878) is 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCC=CC(CCC)C1=NCCN1.
What is the InChIKey of 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole?
The InChIKey is MJRRTSUVLZYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)23-24-20-21-25-23/h17,19,22H,3-16,18,20-21H2,1-2H3,(H,24,25).
What are the key properties of 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole?
2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole has a molecular weight of 348.62 g/mol, XLogP of 7.05, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 69114878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).