(4-formyl-3-methyl-2H-imidazol-1-yl)thallium

C5H7N2OTl — CID 163887159

IUPAC(4-formyl-3-methyl-2H-imidazol-1-yl)thallium
SMILESCN1CN([Tl])C=C1C=O
InChIInChI=1S/C5H8N2O.Tl/c1-7-4-6-2-5(7)3-8;/h2-3H,4H2,1H3,(H,6,8);/q;+1/p-1
InChIKeyPYJCSYCKTPXKHG-UHFFFAOYSA-M
MW315.51 g/mol
LogP-0.68
Rot. Bonds1

About (4-formyl-3-methyl-2H-imidazol-1-yl)thallium

(4-formyl-3-methyl-2H-imidazol-1-yl)thallium (PubChem CID 163887159) has the molecular formula C5H7N2OTl and a molecular weight of 315.51 g/mol. Its IUPAC name is (4-formyl-3-methyl-2H-imidazol-1-yl)thallium.

Molecular Properties

Compound Name(4-formyl-3-methyl-2H-imidazol-1-yl)thallium
PubChem CID163887159
Molecular FormulaC5H7N2OTl
Molecular Weight315.51 g/mol
Exact Mass316.03
IUPAC Name(4-formyl-3-methyl-2H-imidazol-1-yl)thallium
SMILESCN1CN([Tl])C=C1C=O
InChIInChI=1S/C5H8N2O.Tl/c1-7-4-6-2-5(7)3-8;/h2-3H,4H2,1H3,(H,6,8);/q;+1/p-1
InChIKeyPYJCSYCKTPXKHG-UHFFFAOYSA-M
XLogP-0.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-formyl-3-methyl-2H-imidazol-1-yl)thallium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole-4-carbaldehyde
CID 164914667
3-(difluoromethyl)-1-methyl-2H-imidazole-4-carbaldehyde
CID 164914683
4-Formyl-1,3-dimethyl-1,3(2H)-dihydroimidazole-2-thione
CID 593497
2-Propenal, 2,3-bis(dimethylamino)-
CID 5371442
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
2-(dimethylamino)-1,3-dimethyl-2H-imidazole-4-carbaldehyde
CID 87448690
1,3-dimethyl-2-methylsulfanyl-2H-imidazole-4-carbaldehyde
CID 89187020
1,4-Diazabicyclo[2.1.1]hex-2-ene-2-carbaldehyde
CID 123172959
5-Methyl-1,4-diazabicyclo[2.1.1]hex-2-ene-2-carbaldehyde
CID 123468314
(4-Formyl-1,2-dihydroimidazol-3-yl)thallium
CID 142119212
1,3-Dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde
CID 142201674
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931

Frequently Asked Questions

What is the IUPAC name of (4-formyl-3-methyl-2H-imidazol-1-yl)thallium?
The IUPAC name of (4-formyl-3-methyl-2H-imidazol-1-yl)thallium (CID 163887159) is (4-formyl-3-methyl-2H-imidazol-1-yl)thallium.
What is the SMILES notation for (4-formyl-3-methyl-2H-imidazol-1-yl)thallium?
The canonical SMILES for (4-formyl-3-methyl-2H-imidazol-1-yl)thallium is CN1CN([Tl])C=C1C=O.
What is the InChIKey of (4-formyl-3-methyl-2H-imidazol-1-yl)thallium?
The InChIKey is PYJCSYCKTPXKHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N2O.Tl/c1-7-4-6-2-5(7)3-8;/h2-3H,4H2,1H3,(H,6,8);/q;+1/p-1.
What are the key properties of (4-formyl-3-methyl-2H-imidazol-1-yl)thallium?
(4-formyl-3-methyl-2H-imidazol-1-yl)thallium has a molecular weight of 315.51 g/mol, XLogP of -0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-3-methyl-2H-imidazol-1-yl)thallium is sourced from PubChem (CID 163887159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).