2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol

C16H30N2O — CID 101327543

IUPAC2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
SMILESCCC/C=C/CCCCCCC1N=CCN1CCO
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h4-5,12,16,19H,2-3,6-11,13-15H2,1H3/b5-4+
InChIKeyPBDLBOILIJELGX-SNAWJCMRSA-N
MW266.43 g/mol
LogP3.39
Rot. Bonds11

About 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol

2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol (PubChem CID 101327543) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
PubChem CID101327543
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
SMILESCCC/C=C/CCCCCCC1N=CCN1CCO
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h4-5,12,16,19H,2-3,6-11,13-15H2,1H3/b5-4+
InChIKeyPBDLBOILIJELGX-SNAWJCMRSA-N
XLogP3.39
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.39
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

2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
2-(2-decyl-2,4-dihydroimidazol-3-yl)ethanol
CID 101327445
2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323631
2-[2-[(E)-undec-5-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323011
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323045
1-[2-[(E)-hexadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323407
2-[2-[(E)-oct-3-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322853
1-[2-[(E)-heptadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328183
1-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328096
2-[2-[(E)-heptadec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323530

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol (CID 101327543) is 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol is CCC/C=C/CCCCCCC1N=CCN1CCO.
What is the InChIKey of 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The InChIKey is PBDLBOILIJELGX-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h4-5,12,16,19H,2-3,6-11,13-15H2,1H3/b5-4+.
What are the key properties of 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol has a molecular weight of 266.43 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).