chempirical

Imiquimod

C14H16N4CAS 99011-02-6240.31 g/mol

Open in Covalent MOL file
NNHNHN

Properties

Molecular formula
C14H16N4
Molar mass
240.31 g/mol
Exact mass
240.1375 Da
Melting point
292–294 °C
logP
2.65Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
99011-02-6
SMILES
CC(C)Cn1cnc2c(=N)[nH]c3ccccc3c21
InChIKey
DOUYETYNHWVLEO-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)

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Names and synonyms

13 names · show all
  • 1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-
  • 1-(2-Methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine
  • S 26308
  • R 837
  • Aldara
  • 1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-amine
  • Beselna
  • TMX 101
  • Zyclara
  • Keravort
  • 1-(2-Methylpropyl)imidazo[4,5-c]quinolin-4-amine
  • 1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-ylamine
  • Zartra

Work with Imiquimod

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Imiquimod9050-31-1

Similar compounds

4-Chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline99010-64-753 % similar 1-(2-Methylpropyl)-1H-imidazo[4,5-C]quinoline99010-24-952 % similar Resiquimod144875-48-938 % similar 5H-Pyrido(3,2-b)indole245-08-931 % similar 9-Aminoacridine90-45-931 % similar 1H-Indazol-3-amine874-05-530 % similar 2-Amino-9H-pyrido(2,3-b)indole26148-68-530 % similar

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

Same formula

Budralazine36798-79-5 4-((4-Aminophenyl)azo)-N,N-dimethylaniline539-17-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook