2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C22H42N2O — CID 5367893

IUPAC2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3/b10-9+
InChIKeyWGTDLPBPQKAPMN-MDZDMXLPSA-N
MW350.59 g/mol
LogP5.73
Rot. Bonds17

About 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol

2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 5367893) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID5367893
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3/b10-9+
InChIKeyWGTDLPBPQKAPMN-MDZDMXLPSA-N
XLogP5.73
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-
CID 7233
Oleyl hydroxyethyl imidazoline
CID 5358159
1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CID 6437205
1H-Imidazole-1-ethanol, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 101327760
1H-Imidazole-1-ethanol, 2-(8Z)-8-heptadecen-1-yl-4,5-dihydro-, hydrochloride (1:1)
CID 6435885
1H-Imidazolium, 1-ethyl-2-[(8Z)-8-heptadecen-1-yl]-4,5-dihydro-1-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CID 6437423
Poly(oxy-1,2-ethanediyl), alpha,alpha'-(((2-(4,5-dihydro-2-(8-heptadecen-1-yl)-1H-imidazol-1-yl)ethyl)imino)di-2,1-ethanediyl)bis(omega-hydroxy-
CID 6441742
1h-imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (salt)
CID 109623
1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-, acetate (1:1)
CID 6436930
1h-imidazolium, 1-(2-carboxyethyl)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyeth-yl)-, hydroxide, inner salt
CID 6437169
1H-Imidazolium, 1-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CID 6437487
2-(Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol
CID 86518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 5367893) is 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO.
What is the InChIKey of 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is WGTDLPBPQKAPMN-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3/b10-9+.
What are the key properties of 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 350.59 g/mol, XLogP of 5.73, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 5367893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).