4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide

C26H51N3O3 — CID 139606611

IUPAC4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide
SMILESCCCCCCCC(O)CCC(=O)NCCN1CCN=C1CCC(O)CCCCCCC
InChIInChI=1S/C26H51N3O3/c1-3-5-7-9-11-13-23(30)15-17-25-27-19-21-29(25)22-20-28-26(32)18-16-24(31)14-12-10-8-6-4-2/h23-24,30-31H,3-22H2,1-2H3,(H,28,32)
InChIKeyVMWRKGHYIUIWAC-UHFFFAOYSA-N
MW453.71 g/mol
LogP4.82
Rot. Bonds21

About 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide

4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide (PubChem CID 139606611) has the molecular formula C26H51N3O3 and a molecular weight of 453.71 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide
PubChem CID139606611
Molecular FormulaC26H51N3O3
Molecular Weight453.71 g/mol
Exact Mass453.39
IUPAC Name4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide
SMILESCCCCCCCC(O)CCC(=O)NCCN1CCN=C1CCC(O)CCCCCCC
InChIInChI=1S/C26H51N3O3/c1-3-5-7-9-11-13-23(30)15-17-25-27-19-21-29(25)22-20-28-26(32)18-16-24(31)14-12-10-8-6-4-2/h23-24,30-31H,3-22H2,1-2H3,(H,28,32)
InChIKeyVMWRKGHYIUIWAC-UHFFFAOYSA-N
XLogP4.82
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.71
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide 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-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
CID 3017980
(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
17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
CID 139606618
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 3016399
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
(9E)-N-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]-9-(2-methylcyclooctylidene)nonanamide;methane
CID 158731503
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
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 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide?
The IUPAC name of 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide (CID 139606611) is 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide.
What is the SMILES notation for 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide?
The canonical SMILES for 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide is CCCCCCCC(O)CCC(=O)NCCN1CCN=C1CCC(O)CCCCCCC.
What is the InChIKey of 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide?
The InChIKey is VMWRKGHYIUIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N3O3/c1-3-5-7-9-11-13-23(30)15-17-25-27-19-21-29(25)22-20-28-26(32)18-16-24(31)14-12-10-8-6-4-2/h23-24,30-31H,3-22H2,1-2H3,(H,28,32).
What are the key properties of 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide?
4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide has a molecular weight of 453.71 g/mol, XLogP of 4.82, 21 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[2-(3-hydroxydecyl)-4,5-dihydroimidazol-1-yl]ethyl]undecanamide is sourced from PubChem (CID 139606611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).