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

C21H41N3O — CID 18996483

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1=NCCN1
InChIInChI=1S/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)24-21-22-18-19-23-21/h2-19H2,1H3,(H2,22,23,24,25)
InChIKeyHEEKZNWLACPOTB-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.32
Rot. Bonds16

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

N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide (PubChem CID 18996483) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
PubChem CID18996483
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1=NCCN1
InChIInChI=1S/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)24-21-22-18-19-23-21/h2-19H2,1H3,(H2,22,23,24,25)
InChIKeyHEEKZNWLACPOTB-UHFFFAOYSA-N
XLogP5.32
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-5-[(E)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]decanediamide
CID 10306343
N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide
CID 67866753
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzamide
CID 70450400
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide (CID 18996483) is N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide?
The InChIKey is HEEKZNWLACPOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)24-21-22-18-19-23-21/h2-19H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide?
N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide has a molecular weight of 351.58 g/mol, XLogP of 5.32, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide is sourced from PubChem (CID 18996483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).