1H-imidazole;nonadecan-4-yl iodate

C22H43IN2O3 — CID 162220747

IUPAC1H-imidazole;nonadecan-4-yl iodate
SMILESCCCCCCCCCCCCCCCC(CCC)O[I+2]([O-])[O-].c1c[nH]cn1
InChIInChI=1S/C19H39IO3.C3H4N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(17-4-2)23-20(21)22;1-2-5-3-4-1/h19H,3-18H2,1-2H3;1-3H,(H,4,5)
InChIKeyZUBXCXFMXVGMGC-UHFFFAOYSA-N
MW510.50 g/mol
LogP2.15
Rot. Bonds18

About 1H-imidazole;nonadecan-4-yl iodate

1H-imidazole;nonadecan-4-yl iodate (PubChem CID 162220747) has the molecular formula C22H43IN2O3 and a molecular weight of 510.50 g/mol. Its IUPAC name is 1H-imidazole;nonadecan-4-yl iodate.

Molecular Properties

Compound Name1H-imidazole;nonadecan-4-yl iodate
PubChem CID162220747
Molecular FormulaC22H43IN2O3
Molecular Weight510.50 g/mol
Exact Mass510.23
IUPAC Name1H-imidazole;nonadecan-4-yl iodate
SMILESCCCCCCCCCCCCCCCC(CCC)O[I+2]([O-])[O-].c1c[nH]cn1
InChIInChI=1S/C19H39IO3.C3H4N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(17-4-2)23-20(21)22;1-2-5-3-4-1/h19H,3-18H2,1-2H3;1-3H,(H,4,5)
InChIKeyZUBXCXFMXVGMGC-UHFFFAOYSA-N
XLogP2.15
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 175422157
1H-imidazole;octan-2-amine
CID 22649828
1H-imidazole;tetrabutylazanium
CID 175066888
anisole;1H-imidazole;methyl(trioctyl)phosphanium
CID 174834352
dodecyl dihydrogen phosphate;1H-imidazole
CID 175350826
bis(1H-imidazole);dihydrochloride
CID 173058231
4-icosan-4-yloxyicosane
CID 87313284
1H-imidazole;methanamine;dihydrochloride
CID 174740115
N,N-diethylethanamine;1H-imidazole;hydrochloride
CID 174060282
1H-imidazole;phosphane;ruthenium
CID 175520384
3-ethylheptanoic acid;1H-imidazole
CID 175118598
4-hexadecan-5-yloxyhexadecane
CID 57069400

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;nonadecan-4-yl iodate?
The IUPAC name of 1H-imidazole;nonadecan-4-yl iodate (CID 162220747) is 1H-imidazole;nonadecan-4-yl iodate.
What is the SMILES notation for 1H-imidazole;nonadecan-4-yl iodate?
The canonical SMILES for 1H-imidazole;nonadecan-4-yl iodate is CCCCCCCCCCCCCCCC(CCC)O[I+2]([O-])[O-].c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;nonadecan-4-yl iodate?
The InChIKey is ZUBXCXFMXVGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39IO3.C3H4N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(17-4-2)23-20(21)22;1-2-5-3-4-1/h19H,3-18H2,1-2H3;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;nonadecan-4-yl iodate?
1H-imidazole;nonadecan-4-yl iodate has a molecular weight of 510.50 g/mol, XLogP of 2.15, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;nonadecan-4-yl iodate is sourced from PubChem (CID 162220747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).