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

C24H46N2 — CID 70536971

IUPAC2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC=CC1CN=C(CCCC)N1
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22-25-24(26-23)21-6-4-2/h19-20,23H,3-18,21-22H2,1-2H3,(H,25,26)
InChIKeyBIQIPWUVZGGRHG-UHFFFAOYSA-N
MW362.65 g/mol
LogP7.58
Rot. Bonds18

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

2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole (PubChem CID 70536971) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole
PubChem CID70536971
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC=CC1CN=C(CCCC)N1
InChIInChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22-25-24(26-23)21-6-4-2/h19-20,23H,3-18,21-22H2,1-2H3,(H,25,26)
InChIKeyBIQIPWUVZGGRHG-UHFFFAOYSA-N
XLogP7.58
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 ≤ 57.58
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-aminoethyl-2-heptadecenylimidazoline
CID 176267
Heptadecenylimidazoline
CID 6435860

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole (CID 70536971) is 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCCC=CC1CN=C(CCCC)N1.
What is the InChIKey of 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is BIQIPWUVZGGRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22-25-24(26-23)21-6-4-2/h19-20,23H,3-18,21-22H2,1-2H3,(H,25,26).
What are the key properties of 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole?
2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 362.65 g/mol, XLogP of 7.58, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-heptadec-1-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70536971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).