4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine

C23H45N3 — CID 54478037

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
SMILESCCCCCCCCC=CCCCCCCC(CCCN)C1=NCCN1
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22(18-16-19-24)23-25-20-21-26-23/h9-10,22H,2-8,11-21,24H2,1H3,(H,25,26)
InChIKeyXMZDGVNGQILMHM-UHFFFAOYSA-N
MW363.63 g/mol
LogP5.99
Rot. Bonds18

About 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine

4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine (PubChem CID 54478037) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
PubChem CID54478037
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
SMILESCCCCCCCCC=CCCCCCCC(CCCN)C1=NCCN1
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22(18-16-19-24)23-25-20-21-26-23/h9-10,22H,2-8,11-21,24H2,1H3,(H,25,26)
InChIKeyXMZDGVNGQILMHM-UHFFFAOYSA-N
XLogP5.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine 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
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
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
1,2-Ethanediamine, N1,N1'-[[5-hexyl-6-(2-octen-1-yl)-3-cyclohexene-1,2-diyl]bis[7,1-heptanediyl(4,5-dihydro-1H-imidazole-2,1-diyl)-2,1-ethanediyl]]bis-
CID 6437741
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
Oleyl imidazoline
CID 6436530

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine (CID 54478037) is 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine is CCCCCCCCC=CCCCCCCC(CCCN)C1=NCCN1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine?
The InChIKey is XMZDGVNGQILMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22(18-16-19-24)23-25-20-21-26-23/h9-10,22H,2-8,11-21,24H2,1H3,(H,25,26).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine?
4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine has a molecular weight of 363.63 g/mol, XLogP of 5.99, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine is sourced from PubChem (CID 54478037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).