(2-imidazol-1-yl-2-methylpropyl) hypoiodite

C7H11IN2O — CID 170391242

IUPAC(2-imidazol-1-yl-2-methylpropyl) hypoiodite
SMILESCC(C)(COI)n1ccnc1
InChIInChI=1S/C7H11IN2O/c1-7(2,5-11-8)10-4-3-9-6-10/h3-4,6H,5H2,1-2H3
InChIKeyZBWGVEIKVYKANL-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.98
Rot. Bonds3

About (2-imidazol-1-yl-2-methylpropyl) hypoiodite

(2-imidazol-1-yl-2-methylpropyl) hypoiodite (PubChem CID 170391242) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is (2-imidazol-1-yl-2-methylpropyl) hypoiodite.

Molecular Properties

Compound Name(2-imidazol-1-yl-2-methylpropyl) hypoiodite
PubChem CID170391242
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name(2-imidazol-1-yl-2-methylpropyl) hypoiodite
SMILESCC(C)(COI)n1ccnc1
InChIInChI=1S/C7H11IN2O/c1-7(2,5-11-8)10-4-3-9-6-10/h3-4,6H,5H2,1-2H3
InChIKeyZBWGVEIKVYKANL-UHFFFAOYSA-N
XLogP1.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-imidazol-1-ylpropane-1,1-diamine
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1-[di(imidazol-1-yl)-isocyanomethyl]imidazole
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6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine
CID 126825524
2-imidazol-1-ylpent-4-en-2-ol
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ethyl 8-imidazol-1-yl-8-methylnona-2,4-dienoate
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1-[(3S,4S)-4-ethyl-3,5-diiodo-2,3-dimethylheptan-2-yl]imidazole
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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-2-methylpropyl) hypoiodite?
The IUPAC name of (2-imidazol-1-yl-2-methylpropyl) hypoiodite (CID 170391242) is (2-imidazol-1-yl-2-methylpropyl) hypoiodite.
What is the SMILES notation for (2-imidazol-1-yl-2-methylpropyl) hypoiodite?
The canonical SMILES for (2-imidazol-1-yl-2-methylpropyl) hypoiodite is CC(C)(COI)n1ccnc1.
What is the InChIKey of (2-imidazol-1-yl-2-methylpropyl) hypoiodite?
The InChIKey is ZBWGVEIKVYKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-7(2,5-11-8)10-4-3-9-6-10/h3-4,6H,5H2,1-2H3.
What are the key properties of (2-imidazol-1-yl-2-methylpropyl) hypoiodite?
(2-imidazol-1-yl-2-methylpropyl) hypoiodite has a molecular weight of 266.08 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-2-methylpropyl) hypoiodite is sourced from PubChem (CID 170391242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).