N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide

C36H71N3O — CID 3017980

IUPACN-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC
InChIInChI=1S/C36H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,38,40)
InChIKeyFPOOYNZMDXKXIK-UHFFFAOYSA-N
MW561.98 g/mol
LogP10.78
Rot. Bonds31

About N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide

N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide (PubChem CID 3017980) has the molecular formula C36H71N3O and a molecular weight of 561.98 g/mol. Its IUPAC name is N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
PubChem CID3017980
Molecular FormulaC36H71N3O
Molecular Weight561.98 g/mol
Exact Mass561.56
IUPAC NameN-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC
InChIInChI=1S/C36H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,38,40)
InChIKeyFPOOYNZMDXKXIK-UHFFFAOYSA-N
XLogP10.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.98
LogP ≤ 510.78
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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Related Compounds

(E)-N-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide
CID 161246813
(Z)-N-[2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide;hydrochloride
CID 173219048
4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide
CID 139606611
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
(9E)-N-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]-9-(2-methylcyclooctylidene)nonanamide;methane
CID 158731503
(E)-4-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethylamino]-4-oxobut-2-enoic acid
CID 122367791
acetic acid;1-(2-octadecyl-4,5-dihydroimidazol-1-yl)icosan-3-one
CID 173436266
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 3016399
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
CID 177084896
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide?
The IUPAC name of N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide (CID 3017980) is N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide.
What is the SMILES notation for N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide?
The canonical SMILES for N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide?
The InChIKey is FPOOYNZMDXKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,38,40).
What are the key properties of N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide?
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide has a molecular weight of 561.98 g/mol, XLogP of 10.78, 31 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide is sourced from PubChem (CID 3017980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).