1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C22H42N2O — CID 101328167

IUPAC1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCC/C=C/CCCCCCCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19-20-24(22)21(2)25/h6-7,21,25H,3-5,8-20H2,1-2H3/b7-6+
InChIKeyKLNWXTOXZWNRCL-VOTSOKGWSA-N
MW350.59 g/mol
LogP6.08
Rot. Bonds16

About 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol

1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 101328167) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID101328167
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCC/C=C/CCCCCCCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19-20-24(22)21(2)25/h6-7,21,25H,3-5,8-20H2,1-2H3/b7-6+
InChIKeyKLNWXTOXZWNRCL-VOTSOKGWSA-N
XLogP6.08
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.08
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'}

Analyze 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-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

1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-[2-[(E)-heptadec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323480
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323302
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
CID 173221987
1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327870
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 101328167) is 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCC/C=C/CCCCCCCCCCCC1=NCCN1C(C)O.
What is the InChIKey of 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is KLNWXTOXZWNRCL-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19-20-24(22)21(2)25/h6-7,21,25H,3-5,8-20H2,1-2H3/b7-6+.
What are the key properties of 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 350.59 g/mol, XLogP of 6.08, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 101328167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).