CAS 20662-53-7|1,3-Dihydro-1-(piperidin-4-yl)-2H-benzimidazol-2-one|1-(piperidin-4-yl)-3H-1,3-benzodiazol-2-one|1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one|1-(4-Piperidinyl)-1,3-dihydro-...

General Information

Structure

Molecular Formula

C₁₂H₁₅N₃O

Molecular Mass

217.267

Exact Mass

217.12151212

Charge

InChI

InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)

InChIKey

BYNBAMHAURJNTR-UHFFFAOYSA-N

Canonic Smiles

O=c1[nH]c2c(n1C1CCNCC1)cccc2

Isomeric Smiles

[nH]1c2c(cccc2)n(C2CCNCC2)c1=O

Calculated Properties

JChem

Acid pKa

12.898868

H Acceptors

H Donor

LogD (pH = 5.5)

-2.3651676

LogD (pH = 7.4)

-1.4456676

Log P

0.83416694

Molar Refractivity

63.2671

Polarizability

23.762667

Polar Surface Area

44.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1,3-Dihydro-1-(piperidin-4-yl)-2H-benzimidazol-2-one1-(4-Piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one4-(2-Keto-1-benzimidazolinyl)piperidine1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one4-(2-Keto-1-benzimidazolinyl)piperidine4-(2-酮酸-1-苯并咪唑)哌啶R 305071-(4-Piperidyl)-2-benzimidazolinone4-(2-Oxo-1-benzimidazoly)piperidine4-(2-Oxo-1-benzimidazolyl)piperidine1,3-Dihydro-1-(4-piperidinyl)benzimidazol-2-one1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one4-(2-Oxo-1-benzimidazolinyl)piperidine4-(2-Oxo-1,3-dihydro-benzimidazol-1-yl)piperidine1-(piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one

IUPAC Traditional name

1-(piperidin-4-yl)-3H-1,3-benzodiazol-2-one

IUPAC name

1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

Names and Identifiers

Registration numbers

CAS Number

20662-53-7

MDL Number

MFCD00005714

PubChem SID

16207895424847910