N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide

C24H47N3O — CID 54121576

IUPACN-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(C)C1=NCCN1
InChIInChI=1S/C24H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)27-21-22(2)24-25-19-20-26-24/h22H,3-21H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyNOBLQUXLRWOONW-UHFFFAOYSA-N
MW393.66 g/mol
LogP6.00
Rot. Bonds19

About N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide

N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide (PubChem CID 54121576) has the molecular formula C24H47N3O and a molecular weight of 393.66 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide
PubChem CID54121576
Molecular FormulaC24H47N3O
Molecular Weight393.66 g/mol
Exact Mass393.37
IUPAC NameN-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(C)C1=NCCN1
InChIInChI=1S/C24H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)27-21-22(2)24-25-19-20-26-24/h22H,3-21H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyNOBLQUXLRWOONW-UHFFFAOYSA-N
XLogP6.00
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide?
The IUPAC name of N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide (CID 54121576) is N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide?
The canonical SMILES for N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(C)C1=NCCN1.
What is the InChIKey of N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide?
The InChIKey is NOBLQUXLRWOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)27-21-22(2)24-25-19-20-26-24/h22H,3-21H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide?
N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide has a molecular weight of 393.66 g/mol, XLogP of 6.00, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide is sourced from PubChem (CID 54121576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).