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

C4H5N2OTl — CID 142119212

IUPAC(4-formyl-1,2-dihydroimidazol-3-yl)thallium
SMILESO=CC1=CNCN1[Tl]
InChIInChI=1S/C4H5N2O.Tl/c7-2-4-1-5-3-6-4;/h1-2H,3H2,(H,5,7);/q-1;+1
InChIKeyBOPDKVWGLRDFKC-UHFFFAOYSA-N
MW301.48 g/mol
LogP-1.03
Rot. Bonds1

About (4-formyl-1,2-dihydroimidazol-3-yl)thallium

(4-formyl-1,2-dihydroimidazol-3-yl)thallium (PubChem CID 142119212) has the molecular formula C4H5N2OTl and a molecular weight of 301.48 g/mol. Its IUPAC name is (4-formyl-1,2-dihydroimidazol-3-yl)thallium.

Molecular Properties

Compound Name(4-formyl-1,2-dihydroimidazol-3-yl)thallium
PubChem CID142119212
Molecular FormulaC4H5N2OTl
Molecular Weight301.48 g/mol
Exact Mass302.01
IUPAC Name(4-formyl-1,2-dihydroimidazol-3-yl)thallium
SMILESO=CC1=CNCN1[Tl]
InChIInChI=1S/C4H5N2O.Tl/c7-2-4-1-5-3-6-4;/h1-2H,3H2,(H,5,7);/q-1;+1
InChIKeyBOPDKVWGLRDFKC-UHFFFAOYSA-N
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
3-sulfanyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 89014969
4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide
CID 90091957
2-(Ethylaminomethylamino)prop-2-enal
CID 126639192
2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 139752034
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931

Frequently Asked Questions

What is the IUPAC name of (4-formyl-1,2-dihydroimidazol-3-yl)thallium?
The IUPAC name of (4-formyl-1,2-dihydroimidazol-3-yl)thallium (CID 142119212) is (4-formyl-1,2-dihydroimidazol-3-yl)thallium.
What is the SMILES notation for (4-formyl-1,2-dihydroimidazol-3-yl)thallium?
The canonical SMILES for (4-formyl-1,2-dihydroimidazol-3-yl)thallium is O=CC1=CNCN1[Tl].
What is the InChIKey of (4-formyl-1,2-dihydroimidazol-3-yl)thallium?
The InChIKey is BOPDKVWGLRDFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O.Tl/c7-2-4-1-5-3-6-4;/h1-2H,3H2,(H,5,7);/q-1;+1.
What are the key properties of (4-formyl-1,2-dihydroimidazol-3-yl)thallium?
(4-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 (4-formyl-1,2-dihydroimidazol-3-yl)thallium is sourced from PubChem (CID 142119212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).