4-methoxy-2,3-dihydro-1H-1,3-benzodiazol-2-one - CAS 69053-51-6

Catalog:	BB033685
Product Name:	4-methoxy-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS:	69053-51-6
Synonyms:	4-methoxy-1,3-dihydrobenzimidazol-2-one; 4-methoxy-1,3-dihydrobenzimidazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methoxy-1,3-dihydrobenzimidazol-2-one
Description:	4-methoxy-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS# 69053-51-6) is a useful research chemical.
Molecular Weight:	164.164
Molecular Formula:	C8H8N2O2
Canonical SMILES:	COC1=CC=CC2=C1NC(=O)N2
InChI:	InChI=1S/C8H8N2O2/c1-12-6-4-2-3-5-7(6)10-8(11)9-5/h2-4H,1H3,(H2,9,10,11)
InChI Key:	RGAFTXCTIKLLTR-UHFFFAOYSA-N
LogP:	1.27710

Publication Number	Title	Priority Date
US-2020347029-A1	C5a receptor modulators	20180119
AU-2009313768-A1	Pyrazine compounds as phosphodiesterase 10 inhibitors	20081114
AU-2009313768-B2	Pyrazine compounds as phosphodiesterase 10 inhibitors	20081114
AU-2009313773-A1	Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors	20081114
AU-2009313773-B2	Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors	20081114

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Related Functional Groups

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Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.058577502
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5