(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride

C35H69ClN2O — CID 173221987

IUPAC(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(C(C)O)N1CCN=C1CCCCCCCCCCCC.Cl
InChIInChI=1S/C35H68N2O.ClH/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-34(33(3)38)37-32-31-36-35(37)30-28-26-24-22-15-13-11-9-7-5-2;/h17-18,33-34,38H,4-16,19-32H2,1-3H3;1H/b18-17-;
InChIKeyGBNJWRRSRZFYNQ-YBFBCAGJSA-N
MW569.40 g/mol
LogP11.22
Rot. Bonds28

About (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride

(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride (PubChem CID 173221987) has the molecular formula C35H69ClN2O and a molecular weight of 569.40 g/mol. Its IUPAC name is (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride.

Molecular Properties

Compound Name(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
PubChem CID173221987
Molecular FormulaC35H69ClN2O
Molecular Weight569.40 g/mol
Exact Mass568.51
IUPAC Name(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(C(C)O)N1CCN=C1CCCCCCCCCCCC.Cl
InChIInChI=1S/C35H68N2O.ClH/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-34(33(3)38)37-32-31-36-35(37)30-28-26-24-22-15-13-11-9-7-5-2;/h17-18,33-34,38H,4-16,19-32H2,1-3H3;1H/b18-17-;
InChIKeyGBNJWRRSRZFYNQ-YBFBCAGJSA-N
XLogP11.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.40
LogP ≤ 511.22
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)-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-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
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-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride?
The IUPAC name of (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride (CID 173221987) is (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride.
What is the SMILES notation for (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride?
The canonical SMILES for (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride is CCCCCCCC/C=C\CCCCCCCC(C(C)O)N1CCN=C1CCCCCCCCCCCC.Cl.
What is the InChIKey of (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride?
The InChIKey is GBNJWRRSRZFYNQ-YBFBCAGJSA-N. The full InChI is InChI=1S/C35H68N2O.ClH/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-34(33(3)38)37-32-31-36-35(37)30-28-26-24-22-15-13-11-9-7-5-2;/h17-18,33-34,38H,4-16,19-32H2,1-3H3;1H/b18-17-;.
What are the key properties of (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride?
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride has a molecular weight of 569.40 g/mol, XLogP of 11.22, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride is sourced from PubChem (CID 173221987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).