2-(2-heptadecyl-1H-imidazol-5-yl)ethanol

C22H42N2O — CID 10617878

IUPAC2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCc1ncc(CCO)[nH]1
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-20-21(24-22)18-19-25/h20,25H,2-19H2,1H3,(H,23,24)
InChIKeyFZSXTPXEHMJTJE-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.36
Rot. Bonds18

About 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol

2-(2-heptadecyl-1H-imidazol-5-yl)ethanol (PubChem CID 10617878) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
PubChem CID10617878
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCc1ncc(CCO)[nH]1
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-20-21(24-22)18-19-25/h20,25H,2-19H2,1H3,(H,23,24)
InChIKeyFZSXTPXEHMJTJE-UHFFFAOYSA-N
XLogP6.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2,5-dihexyl-1H-imidazole
CID 175376233
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
2-butyl-5-tetradecyl-1H-imidazole;nitric acid
CID 158622630
2-butyl-5-propyl-1H-imidazole
CID 68810469
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
CID 175074966
2-hexyl-5-methyl-1H-imidazole;sulfuric acid
CID 175268220
2-pentyl-1H-imidazole-5-carboxamide
CID 68638912
sodium 2-(5-dodecyl-1H-imidazol-2-yl)ethyl sulfate
CID 23670271
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-heptadecyl-1H-imidazol-2-amine
CID 25178085

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol (CID 10617878) is 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol is CCCCCCCCCCCCCCCCCc1ncc(CCO)[nH]1.
What is the InChIKey of 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol?
The InChIKey is FZSXTPXEHMJTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-20-21(24-22)18-19-25/h20,25H,2-19H2,1H3,(H,23,24).
What are the key properties of 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol?
2-(2-heptadecyl-1H-imidazol-5-yl)ethanol has a molecular weight of 350.59 g/mol, XLogP of 6.36, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptadecyl-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 10617878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).