2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol

C23H44N2O — CID 66623851

IUPAC2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCC1CN=C(CCO)N1
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-24-23(25-22)19-20-26/h9-10,22,26H,2-8,11-21H2,1H3,(H,24,25)/b10-9-
InChIKeyBDXBOHXGLUSDHA-KTKRTIGZSA-N
MW364.62 g/mol
LogP6.17
Rot. Bonds18

About 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol

2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol (PubChem CID 66623851) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
PubChem CID66623851
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCC1CN=C(CCO)N1
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-24-23(25-22)19-20-26/h9-10,22,26H,2-8,11-21H2,1H3,(H,24,25)/b10-9-
InChIKeyBDXBOHXGLUSDHA-KTKRTIGZSA-N
XLogP6.17
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol 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

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
(E)-N-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazol-5-yl]ethyl]octadec-9-enamide
CID 129137787
2,5-dibutyl-4,5-dihydro-1H-imidazole
CID 88688688
2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 70536806
1-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 54324599
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
(E)-henicos-12-en-1-ol
CID 19702453
(E)-docos-9-en-1-ol
CID 23502502
heptadec-3-en-1-ol
CID 86130004

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol (CID 66623851) is 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol is CCCCCCCC/C=C\CCCCCCCCC1CN=C(CCO)N1.
What is the InChIKey of 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol?
The InChIKey is BDXBOHXGLUSDHA-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-24-23(25-22)19-20-26/h9-10,22,26H,2-8,11-21H2,1H3,(H,24,25)/b10-9-.
What are the key properties of 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol?
2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol has a molecular weight of 364.62 g/mol, XLogP of 6.17, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 66623851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).