7-chloro-2-(1-methyl-1H-imidazol-5-yl)thieno[3,2-b]pyridine

HCID 22250072

Notes Reactions

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Basic information

CAS: 225385-09-1
Standard SMILES: Cn1cncc1-c1cc2nccc(Cl)c2s1
InChIKey: WWUMCGZQACAQEO-UHFFFAOYSA-N
Molecular formula: C11H8ClN3S
Average molar mass: 249.72 g/mol
Monoisotopic mass: 249.01274594

Names & identifiers

Preferred name: 7-chloro-2-(1-methyl-1H-imidazol-5-yl)thieno[3,2-b]pyridine
IUPAC: 7-chloro-2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridine

Names & synonyms

225385-09-17-chloro-2-(1-methyl-1H-imidazol-5-yl)thieno[3,2-b]pyridineThieno[3,2-b]pyridine, 7-chloro-2-(1-methyl-1H-imidazol-5-yl)-SCHEMBL3085167-chloro-2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridineDTXSID00623854WWUMCGZQACAQEO-UHFFFAOYSA-NDA-079365-{7-chlorothieno[3,2-b]pyridin-2-yl}-1-methyl-1H-imidazole7-chloro-2-(3-methyl-3H-imidazol-4-yl)-thieno[3,2-b]pyridine

Database identifiers

CAS: 225385-09-1
PubChem CID: 22250072
DTXSID: DTXSID00623854

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 59 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 266

Related reactions

14 records

New reaction record

HRID 112840As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 184601As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 300668As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 418577As productuspto-grants-2012_01

HRID 418578As reactantuspto-grants-2012_01

HRID 700303As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 809410As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1213941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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