CAS 110274-75-4|5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride|5-amino-1,3-dimethyl-1,3-benzodiazol-2-one hydrochloride|5-Amino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one ...

General Information

Structure

Molecular Formula

C₉H₁₂ClN₃O

Molecular Mass

213.66408

Exact Mass

213.0668897

Charge

InChI

InChI=1S/C9H11N3O.ClH/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;/h3-5H,10H2,1-2H3;1H

InChIKey

ZKPIOVMOCOYLKU-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)n(C)c(=O)n2C.Cl

Isomeric Smiles

c12c(n(c(=O)n1C)C)ccc(c2)N.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.40294164

LogD (pH = 7.4)

0.40643743

Log P

0.4064822

Molar Refractivity

50.927

Polarizability

18.58733

Polar Surface Area

49.57

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride

IUPAC Traditional name

5-amino-1,3-dimethyl-1,3-benzodiazol-2-one hydrochloride

Synonyms

5-Amino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride5-Amino-1,3-dihydro-1,3-dimethyl- 2H-benzimidazol-2-one Monohydrochloride5-Amino-1,3-dimethyl-2-benzimidazolinone Hydrochloride 5-amino-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride5-Amino-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one Hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

Registration numbers

Properties