chempirical

Veliparib

C13H16N4OCAS 912444-00-9244.30 g/mol

Open in Covalent MOL file
NH2NONHNH
Secondary amine

Properties

Molecular formula
C13H16N4O
Molar mass
244.30 g/mol
Exact mass
244.1324 Da
logP
2.04Crippen estimate
Polar surface area
84.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
912444-00-9
SMILES
C[C@]1(c2nc3cccc(C(=N)O)c3[nH]2)CCCN1
InChIKey
JNAHVYVRKWKWKQ-CYBMUJFWSA-N
InChI
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1

Weigh it out

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Names and synonyms

8 names
  • 1H-Benzimidazole-7-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-
  • 1H-Benzimidazole-4-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-
  • 2-[(2R)-2-Methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide
  • A 861695
  • ABT 888
  • Veliparib ER
  • 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
  • 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

Work with Veliparib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-2-(2-Methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride912445-05-746 % similar 1-Naphthalenecarboxamide2243-81-432 % similar Phthalamide88-96-031 % similar 2,3-Dimethylbenzamide5580-34-731 % similar 2-(Methylamino)benzamide7505-81-931 % similar 2-Chloronicotinamide10366-35-530 % similar 2-Methyl-3-pyridinecarboxamide58539-65-430 % similar 2-Chlorobenzamide609-66-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook