1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol

C22H40N2O — CID 141140701

IUPAC1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol
SMILESCCCCCCCCCCCCCCC/C=C/c1nccn1C(C)O
InChIInChI=1S/C22H40N2O/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/h17-21,25H,3-16H2,1-2H3/b18-17+
InChIKeyMSPCEUICWBYNRU-ISLYRVAYSA-N
MW348.57 g/mol
LogP6.89
Rot. Bonds16

About 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol

1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol (PubChem CID 141140701) has the molecular formula C22H40N2O and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol
PubChem CID141140701
Molecular FormulaC22H40N2O
Molecular Weight348.57 g/mol
Exact Mass348.31
IUPAC Name1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol
SMILESCCCCCCCCCCCCCCC/C=C/c1nccn1C(C)O
InChIInChI=1S/C22H40N2O/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/h17-21,25H,3-16H2,1-2H3/b18-17+
InChIKeyMSPCEUICWBYNRU-ISLYRVAYSA-N
XLogP6.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-octadec-9-enylimidazole
CID 54514402
2-[(E)-dodec-1-enyl]pyridine
CID 166438666
2-dodecan-2-yl-1-propan-2-ylimidazole
CID 69408274
undec-3-en-2-ol
CID 174515693
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834
2-heptacosan-9-yl-1-propan-2-ylimidazole
CID 69405884
1-(2-undecylimidazol-1-yl)ethanamine
CID 21242197
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975
(1E,4E,6E)-1,7-bis(1-butan-2-ylimidazol-2-yl)hepta-1,4,6-trien-3-one
CID 127041796
tetracos-5-en-2-ol
CID 173208999
(Z)-henicos-12-en-2-ol
CID 141141779

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol?
The IUPAC name of 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol (CID 141140701) is 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol is CCCCCCCCCCCCCCC/C=C/c1nccn1C(C)O.
What is the InChIKey of 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol?
The InChIKey is MSPCEUICWBYNRU-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H40N2O/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/h17-21,25H,3-16H2,1-2H3/b18-17+.
What are the key properties of 1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol?
1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol has a molecular weight of 348.57 g/mol, XLogP of 6.89, 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-1-enyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 141140701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).