(E)-2-imidazol-1-ylnonadec-4-en-2-ol

C22H40N2O — CID 19359054

IUPAC(E)-2-imidazol-1-ylnonadec-4-en-2-ol
SMILESCCCCCCCCCCCCCC/C=C/CC(C)(O)n1ccnc1
InChIInChI=1S/C22H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,25)24-20-19-23-21-24/h16-17,19-21,25H,3-15,18H2,1-2H3/b17-16+
InChIKeyKEEKHVGDGHWHNZ-WUKNDPDISA-N
MW348.57 g/mol
LogP6.59
Rot. Bonds16

About (E)-2-imidazol-1-ylnonadec-4-en-2-ol

(E)-2-imidazol-1-ylnonadec-4-en-2-ol (PubChem CID 19359054) has the molecular formula C22H40N2O and a molecular weight of 348.57 g/mol. Its IUPAC name is (E)-2-imidazol-1-ylnonadec-4-en-2-ol.

Molecular Properties

Compound Name(E)-2-imidazol-1-ylnonadec-4-en-2-ol
PubChem CID19359054
Molecular FormulaC22H40N2O
Molecular Weight348.57 g/mol
Exact Mass348.31
IUPAC Name(E)-2-imidazol-1-ylnonadec-4-en-2-ol
SMILESCCCCCCCCCCCCCC/C=C/CC(C)(O)n1ccnc1
InChIInChI=1S/C22H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,25)24-20-19-23-21-24/h16-17,19-21,25H,3-15,18H2,1-2H3/b17-16+
InChIKeyKEEKHVGDGHWHNZ-WUKNDPDISA-N
XLogP6.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.59
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

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CID 16205236
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CID 53711750
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CID 54066950
CID 54066950
CID 54109353
CID 54109353
CID 54472853
CID 54472853
CID 54492493
CID 54492493
CID 54514402
CID 54514402
CID 57069970
CID 57069970
CID 57289670
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CID 58781767
CID 58781767

Frequently Asked Questions

What is the IUPAC name of (E)-2-imidazol-1-ylnonadec-4-en-2-ol?
The IUPAC name of (E)-2-imidazol-1-ylnonadec-4-en-2-ol (CID 19359054) is (E)-2-imidazol-1-ylnonadec-4-en-2-ol.
What is the SMILES notation for (E)-2-imidazol-1-ylnonadec-4-en-2-ol?
The canonical SMILES for (E)-2-imidazol-1-ylnonadec-4-en-2-ol is CCCCCCCCCCCCCC/C=C/CC(C)(O)n1ccnc1.
What is the InChIKey of (E)-2-imidazol-1-ylnonadec-4-en-2-ol?
The InChIKey is KEEKHVGDGHWHNZ-WUKNDPDISA-N. The full InChI is InChI=1S/C22H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,25)24-20-19-23-21-24/h16-17,19-21,25H,3-15,18H2,1-2H3/b17-16+.
What are the key properties of (E)-2-imidazol-1-ylnonadec-4-en-2-ol?
(E)-2-imidazol-1-ylnonadec-4-en-2-ol has a molecular weight of 348.57 g/mol, XLogP of 6.59, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-imidazol-1-ylnonadec-4-en-2-ol is sourced from PubChem (CID 19359054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).