1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C16H30N2O — CID 101327942

IUPAC1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCC/C=C/CCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C16H30N2O/c1-3-4-5-6-7-8-9-10-11-12-16-17-13-14-18(16)15(2)19/h5-6,15,19H,3-4,7-14H2,1-2H3/b6-5+
InChIKeyMKGCMZFTLAYKNS-AATRIKPKSA-N
MW266.43 g/mol
LogP3.74
Rot. Bonds10

About 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol

1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 101327942) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID101327942
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCC/C=C/CCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C16H30N2O/c1-3-4-5-6-7-8-9-10-11-12-16-17-13-14-18(16)15(2)19/h5-6,15,19H,3-4,7-14H2,1-2H3/b6-5+
InChIKeyMKGCMZFTLAYKNS-AATRIKPKSA-N
XLogP3.74
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.74
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

1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
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-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327870
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
CID 173221987
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
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 101327942) is 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCC/C=C/CCCCCCC1=NCCN1C(C)O.
What is the InChIKey of 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is MKGCMZFTLAYKNS-AATRIKPKSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-4-5-6-7-8-9-10-11-12-16-17-13-14-18(16)15(2)19/h5-6,15,19H,3-4,7-14H2,1-2H3/b6-5+.
What are the key properties of 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 266.43 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 101327942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).