chempirical

Butyl 2-[2-[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]benzoate

C29H25N5O5CAS 31778-10-6523.55 g/mol

Open in Covalent MOL file
OONNOHOHNNOHNH
AzoEsterPhenol

Properties

Molecular formula
C29H25N5O5
Molar mass
523.55 g/mol
Exact mass
523.1856 Da
logP
7.14Crippen estimate
Polar surface area
152.8 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
8

Identifiers

CAS number
31778-10-6
SMILES
CCCCOC(=O)c1ccccc1N=Nc1c(O)c(C(O)=Nc2ccc3nc(O)[nH]c3c2)cc2ccccc12
InChIKey
OFVRAFISISJRPV-UHFFFAOYSA-N
InChI
InChI=1S/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Benzoic acid, 2-[2-[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-, butyl ester
  • Benzoic acid, o-[[2-hydroxy-3-[(2-oxo-5-benzimidazolinyl)carbamoyl]-1-naphthyl]azo]-, butyl ester
  • Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl ester
  • 5-[4-[o-(Butoxycarbonyl)phenylazo]-3-hydroxy-2-naphthamido]-2-benzimidazolinone
  • PV Red HF 2B
  • C.I. Pigment red 208
  • C.I. 12514
  • Novoperm red HF 2B
  • Pigment red 208
  • Graphtol red HF 2B
  • Novoperm red HF 2B01
  • HF 2B01
  • Hostaprint red HF 2B32
  • Hostaprint red HF 2B34
  • PR 208

Work with Butyl 2-[2-[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]benzoate

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

N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[5-methoxy-2-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]-2-naphthalenecarboxamide61951-98-256 % similar Naphthol red2786-76-745 % similar 4-[2-(2-Chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide6410-26-045 % similar Pigment yellow 15131837-42-041 % similar Pigment red 226448-95-941 % similar Pigment red 26041-94-741 % similar Pigment red 236471-49-440 % similar Pigment red 316448-96-039 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook