2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole

C24H46N2 — CID 67829077

IUPAC2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CC(CCCC)C1=NCCN1
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19-6-4-2)24-25-21-22-26-24/h18,20,23H,3-17,19,21-22H2,1-2H3,(H,25,26)
InChIKeyHEOODYIGADXOGO-UHFFFAOYSA-N
MW362.65 g/mol
LogP7.44
Rot. Bonds18

About 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole

2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole (PubChem CID 67829077) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole
PubChem CID67829077
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CC(CCCC)C1=NCCN1
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19-6-4-2)24-25-21-22-26-24/h18,20,23H,3-17,19,21-22H2,1-2H3,(H,25,26)
InChIKeyHEOODYIGADXOGO-UHFFFAOYSA-N
XLogP7.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.44
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-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole (CID 67829077) is 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCC=CC(CCCC)C1=NCCN1.
What is the InChIKey of 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole?
The InChIKey is HEOODYIGADXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19-6-4-2)24-25-21-22-26-24/h18,20,23H,3-17,19,21-22H2,1-2H3,(H,25,26).
What are the key properties of 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole?
2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole has a molecular weight of 362.65 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 67829077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).