4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide

C9H17IN2O2 — CID 174613294

IUPAC4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide
SMILESC=CN1C=CN(CCC(O)CO)C1.I
InChIInChI=1S/C9H16N2O2.HI/c1-2-10-5-6-11(8-10)4-3-9(13)7-12;/h2,5-6,9,12-13H,1,3-4,7-8H2;1H
InChIKeyKQEXOAHBURUJBT-UHFFFAOYSA-N
MW312.15 g/mol
LogP0.54
Rot. Bonds5

About 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide

4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide (PubChem CID 174613294) has the molecular formula C9H17IN2O2 and a molecular weight of 312.15 g/mol. Its IUPAC name is 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide.

Molecular Properties

Compound Name4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide
PubChem CID174613294
Molecular FormulaC9H17IN2O2
Molecular Weight312.15 g/mol
Exact Mass312.03
IUPAC Name4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide
SMILESC=CN1C=CN(CCC(O)CO)C1.I
InChIInChI=1S/C9H16N2O2.HI/c1-2-10-5-6-11(8-10)4-3-9(13)7-12;/h2,5-6,9,12-13H,1,3-4,7-8H2;1H
InChIKeyKQEXOAHBURUJBT-UHFFFAOYSA-N
XLogP0.54
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 159541886
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5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
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1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
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CID 175320874
5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
CID 174665724
1-butyl-3-ethenyl-2H-imidazole;prop-2-enamide;hydrobromide
CID 175485148
1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
CID 175052158
1-ethenyl-3-prop-2-enyl-2H-imidazole;2,2,2-trifluoroacetic acid
CID 174748376
1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
CID 175189511
2-(3-ethenyl-2H-imidazol-1-yl)acetic acid;hexafluoroantimony(1-)
CID 175560038
bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride
CID 159921730

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide?
The IUPAC name of 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide (CID 174613294) is 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide.
What is the SMILES notation for 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide?
The canonical SMILES for 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide is C=CN1C=CN(CCC(O)CO)C1.I.
What is the InChIKey of 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide?
The InChIKey is KQEXOAHBURUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.HI/c1-2-10-5-6-11(8-10)4-3-9(13)7-12;/h2,5-6,9,12-13H,1,3-4,7-8H2;1H.
What are the key properties of 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide?
4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide has a molecular weight of 312.15 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenyl-2H-imidazol-1-yl)butane-1,2-diol;hydroiodide is sourced from PubChem (CID 174613294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).