N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide

C41H81N3O — CID 21492341

IUPACN-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCCC1=NCCN1CCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H81N3O/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40-42-36-38-44(40)39-37-43-41(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H,43,45)
InChIKeyGKQZAEHMULFAJR-UHFFFAOYSA-N
MW632.12 g/mol
LogP12.73
Rot. Bonds36

About N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide

N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide (PubChem CID 21492341) has the molecular formula C41H81N3O and a molecular weight of 632.12 g/mol. Its IUPAC name is N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
PubChem CID21492341
Molecular FormulaC41H81N3O
Molecular Weight632.12 g/mol
Exact Mass631.64
IUPAC NameN-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCCC1=NCCN1CCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H81N3O/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40-42-36-38-44(40)39-37-43-41(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H,43,45)
InChIKeyGKQZAEHMULFAJR-UHFFFAOYSA-N
XLogP12.73
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds36
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide?
The IUPAC name of N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide (CID 21492341) is N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide?
The canonical SMILES for N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCCC1=NCCN1CCNC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide?
The InChIKey is GKQZAEHMULFAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H81N3O/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40-42-36-38-44(40)39-37-43-41(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H,43,45).
What are the key properties of N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide?
N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide has a molecular weight of 632.12 g/mol, XLogP of 12.73, 36 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide is sourced from PubChem (CID 21492341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).