(5-formyl-1,2-dihydroimidazol-3-yl)thallium

C4H5N2OTl — CID 149316104

IUPAC(5-formyl-1,2-dihydroimidazol-3-yl)thallium
SMILESO=CC1=CN([Tl])CN1
InChIInChI=1S/C4H6N2O.Tl/c7-2-4-1-5-3-6-4;/h1-2,6H,3H2,(H,5,7);/q;+1/p-1
InChIKeyXZNVNAVGKVHXLY-UHFFFAOYSA-M
MW301.48 g/mol
LogP-1.03
Rot. Bonds1

About (5-formyl-1,2-dihydroimidazol-3-yl)thallium

(5-formyl-1,2-dihydroimidazol-3-yl)thallium (PubChem CID 149316104) has the molecular formula C4H5N2OTl and a molecular weight of 301.48 g/mol. Its IUPAC name is (5-formyl-1,2-dihydroimidazol-3-yl)thallium.

Molecular Properties

Compound Name(5-formyl-1,2-dihydroimidazol-3-yl)thallium
PubChem CID149316104
Molecular FormulaC4H5N2OTl
Molecular Weight301.48 g/mol
Exact Mass302.01
IUPAC Name(5-formyl-1,2-dihydroimidazol-3-yl)thallium
SMILESO=CC1=CN([Tl])CN1
InChIInChI=1S/C4H6N2O.Tl/c7-2-4-1-5-3-6-4;/h1-2,6H,3H2,(H,5,7);/q;+1/p-1
InChIKeyXZNVNAVGKVHXLY-UHFFFAOYSA-M
XLogP-1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 2724951
(5-Formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite
CID 168982735
AC1Nswv9
CID 5371640
3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 88971063
2-(Ethylaminomethylamino)prop-2-enal
CID 126639192
2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 139752034
(4-Formyl-1,2-dihydroimidazol-3-yl)thallium
CID 142119212
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
3-methyl-2-oxo-1H-imidazole-5-carbaldehyde
CID 148647274

Frequently Asked Questions

What is the IUPAC name of (5-formyl-1,2-dihydroimidazol-3-yl)thallium?
The IUPAC name of (5-formyl-1,2-dihydroimidazol-3-yl)thallium (CID 149316104) is (5-formyl-1,2-dihydroimidazol-3-yl)thallium.
What is the SMILES notation for (5-formyl-1,2-dihydroimidazol-3-yl)thallium?
The canonical SMILES for (5-formyl-1,2-dihydroimidazol-3-yl)thallium is O=CC1=CN([Tl])CN1.
What is the InChIKey of (5-formyl-1,2-dihydroimidazol-3-yl)thallium?
The InChIKey is XZNVNAVGKVHXLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2O.Tl/c7-2-4-1-5-3-6-4;/h1-2,6H,3H2,(H,5,7);/q;+1/p-1.
What are the key properties of (5-formyl-1,2-dihydroimidazol-3-yl)thallium?
(5-formyl-1,2-dihydroimidazol-3-yl)thallium has a molecular weight of 301.48 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-1,2-dihydroimidazol-3-yl)thallium is sourced from PubChem (CID 149316104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).