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

C14H26N2O — CID 101327492

IUPAC2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCCCCCCC/C=C/C1NC=CN1CCO
InChIInChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h8-11,14-15,17H,2-7,12-13H2,1H3/b9-8+
InChIKeyBNDUJTFIBMAZGG-CMDGGOBGSA-N
MW238.38 g/mol
LogP2.60
Rot. Bonds9

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

2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol (PubChem CID 101327492) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
PubChem CID101327492
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCCCCCCC/C=C/C1NC=CN1CCO
InChIInChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h8-11,14-15,17H,2-7,12-13H2,1H3/b9-8+
InChIKeyBNDUJTFIBMAZGG-CMDGGOBGSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.60
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)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327577
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)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol (CID 101327492) is 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol is CCCCCCC/C=C/C1NC=CN1CCO.
What is the InChIKey of 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The InChIKey is BNDUJTFIBMAZGG-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h8-11,14-15,17H,2-7,12-13H2,1H3/b9-8+.
What are the key properties of 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol has a molecular weight of 238.38 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101327492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).