4(3H)-Quinazolinone, 3-(o-chlorophenyl)-2-((2-imidazolin-2-ylthio)methyl)-, monohydrobromide

HCID 63253

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Basic information

CAS: 61555-03-1
Standard SMILES: Br.O=c1c2ccccc2nc(CSC2=NCCN2)n1-c1ccccc1Cl
InChIKey: BEEBDUAZJVOZGN-UHFFFAOYSA-N
Molecular formula: C18H16BrClN4OS
Average molar mass: 451.8 g/mol
Monoisotopic mass: 449.99167

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(o-chlorophenyl)-2-((2-imidazolin-2-ylthio)methyl)-, monohydrobromide
IUPAC: 3-(2-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)quinazolin-4-one;hydrobromide

Names & synonyms

4(3H)-Quinazolinone, 3-(o-chlorophenyl)-2-((2-imidazolin-2-ylthio)methyl)-, monohydrobromide61555-03-1DTXSID902105553-(o-Chlorophenyl)-2-((2-imidazolin-2-ylthio)methyl)-4(3H)-quinazolinone monohydrobromide4(3H)-Quinazolinone, 3-(2-chlorophenyl)-2-(((4,5-dihydro-1H-imidazol-2-yl)thio)methyl)-, monohydrobromideRefChem:284146DTXCID20133046CHEMBL32512733-(2-Chlorophenyl)-2-{[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one--hydrogen bromide (1/1)

Database identifiers

CAS: 61555-03-1
PubChem CID: 63253
DTXSID: DTXSID90210555
ChEMBL: CHEMBL3251273

Properties

Computed structural properties

Topological polar surface area: 82.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 581

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