2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol

C23H44N2O — CID 70536806

IUPAC2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol
SMILESCCCCCCCCCCCCC1CCCCC1C1CN=C(CCO)N1
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-21(20)22-19-24-23(25-22)17-18-26/h20-22,26H,2-19H2,1H3,(H,24,25)
InChIKeyARRHKPYONATAMC-UHFFFAOYSA-N
MW364.62 g/mol
LogP5.86
Rot. Bonds14

About 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol

2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol (PubChem CID 70536806) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol
PubChem CID70536806
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol
SMILESCCCCCCCCCCCCC1CCCCC1C1CN=C(CCO)N1
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-21(20)22-19-24-23(25-22)17-18-26/h20-22,26H,2-19H2,1H3,(H,24,25)
InChIKeyARRHKPYONATAMC-UHFFFAOYSA-N
XLogP5.86
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol with MolForge

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Related Compounds

2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 66623851
5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol
CID 70187734
2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 123914747
2-(2-octadecyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 19376922
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
(4aR,5S,8aS)-5-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 11368080
2,5-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 85289021
1-decyl-2-methylcyclohexane
CID 123746851

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol (CID 70536806) is 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol is CCCCCCCCCCCCC1CCCCC1C1CN=C(CCO)N1.
What is the InChIKey of 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol?
The InChIKey is ARRHKPYONATAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-21(20)22-19-24-23(25-22)17-18-26/h20-22,26H,2-19H2,1H3,(H,24,25).
What are the key properties of 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol?
2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol has a molecular weight of 364.62 g/mol, XLogP of 5.86, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 70536806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).