2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol

C17H32N2O — CID 101327577

IUPAC2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCCCCCCCCCC/C=C/C1NC=CN1CCO
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-14-19(17)15-16-20/h11-14,17-18,20H,2-10,15-16H2,1H3/b12-11+
InChIKeyVDQJLIFUYMFOJG-VAWYXSNFSA-N
MW280.46 g/mol
LogP3.77
Rot. Bonds12

About 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol

2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol (PubChem CID 101327577) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
PubChem CID101327577
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCCCCCCCCCC/C=C/C1NC=CN1CCO
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-14-19(17)15-16-20/h11-14,17-18,20H,2-10,15-16H2,1H3/b12-11+
InChIKeyVDQJLIFUYMFOJG-VAWYXSNFSA-N
XLogP3.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.77
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'}

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Related Compounds

2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327492
2-[2-[(E)-octadec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323642
2-[2-[(E)-tridec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327618
2-[2-[(E)-dodec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327581
2-[2-[(E)-tridec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327616
2-[2-[(E)-tridec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327617
2-[2-[(E)-dec-4-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327521
2-[2-[(E)-tridec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327619
2-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323652
2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323372
2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322960
2-[2-[(E)-heptadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323554

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol (CID 101327577) is 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol is CCCCCCCCCC/C=C/C1NC=CN1CCO.
What is the InChIKey of 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The InChIKey is VDQJLIFUYMFOJG-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-14-19(17)15-16-20/h11-14,17-18,20H,2-10,15-16H2,1H3/b12-11+.
What are the key properties of 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol has a molecular weight of 280.46 g/mol, XLogP of 3.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101327577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).