N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide

C41H81N3O — CID 177084896

IUPACN-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(C)N1CCN=C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H81N3O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-37-44(40)39(3)38-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3,(H,43,45)
InChIKeyZNVBKCGWDCTMLG-UHFFFAOYSA-N
MW632.12 g/mol
LogP12.73
Rot. Bonds35

About N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide

N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide (PubChem CID 177084896) has the molecular formula C41H81N3O and a molecular weight of 632.12 g/mol. Its IUPAC name is N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
PubChem CID177084896
Molecular FormulaC41H81N3O
Molecular Weight632.12 g/mol
Exact Mass631.64
IUPAC NameN-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(C)N1CCN=C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H81N3O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-37-44(40)39(3)38-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3,(H,43,45)
InChIKeyZNVBKCGWDCTMLG-UHFFFAOYSA-N
XLogP12.73
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.12
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-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

Related Compounds

N-[1-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
CID 67907386
N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride
CID 173188481
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
CID 3017980
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
CID 154332783
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
(E)-N-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide
CID 161246813
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
(Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride
CID 173219048
3-(2-octadecyl-4,5-dihydroimidazol-1-yl)pentanoic acid
CID 122613373

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide?
The IUPAC name of N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide (CID 177084896) is N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide.
What is the SMILES notation for N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide?
The canonical SMILES for N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(C)N1CCN=C1CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide?
The InChIKey is ZNVBKCGWDCTMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H81N3O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-37-44(40)39(3)38-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3,(H,43,45).
What are the key properties of N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide?
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide has a molecular weight of 632.12 g/mol, XLogP of 12.73, 35 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide is sourced from PubChem (CID 177084896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).