5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole

C24H46N2 — CID 68113524

IUPAC5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CCC1=NCC(N1)CCCC
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-25-22-23(26-24)20-6-4-2/h18-19,23H,3-17,20-22H2,1-2H3,(H,25,26)
InChIKeyXWFOIGRQYLNFNE-UHFFFAOYSA-N
MW362.60 g/mol
LogP9.00
Rot. Bonds18

About 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole

5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 68113524) has the molecular formula C24H46N2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID68113524
Molecular FormulaC24H46N2
Molecular Weight362.60 g/mol
Exact Mass362.37
IUPAC Name5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CCC1=NCC(N1)CCCC
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-25-22-23(26-24)20-6-4-2/h18-19,23H,3-17,20-22H2,1-2H3,(H,25,26)
InChIKeyXWFOIGRQYLNFNE-UHFFFAOYSA-N
XLogP9.00
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity359

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine
CID 107490
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
1H-Imidazole-1-ethanamine, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 117624
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
Di-oleyl imidazoline
CID 129701665
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
Heptadecenylimidazoline
CID 6435860
1H-Imidazole, 4,5-dihydro-2-(9Z)-9-octadecenyl-
CID 6435905

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole (CID 68113524) is 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCC=CCC1=NCC(N1)CCCC.
What is the InChIKey of 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is XWFOIGRQYLNFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-25-22-23(26-24)20-6-4-2/h18-19,23H,3-17,20-22H2,1-2H3,(H,25,26).
What are the key properties of 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole?
5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 362.60 g/mol, XLogP of 9.00, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68113524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).