Imiquimod

C14H16N4CAS 9050-31-1240.31 g/mol

Open in Covalent MOL file
NNNH2N
Primary amine

Properties

Molecular formula
C14H16N4
Molar mass
240.31 g/mol
Exact mass
240.1375 Da
Melting point
292–294 °C
logP
2.82Crippen estimate
Polar surface area
56.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
9050-31-1
SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N
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

24 names · show all
  • Hydroxypropyl methyl cellulose phthalate
  • Cellulose, hydrogen 1,2-benzenedicarboxylate, 2-hydroxypropyl methyl ether
  • Cellulose phthalate hydroxypropyl methyl ether
  • HP 55
  • HP 50
  • 2-Hydroxypropyl methyl cellulose phthalate
  • HP 55F
  • Hydroxypropyl methylcelluose phthalate
  • HP 50F
  • HPMCP 55
  • HP 55UF
  • HPMCP
  • HP 50 (cellulose derivative)
  • HP 5 (cellulose derivative)
  • HP 5
  • HPMCP HP 55S
  • HP 55S
  • Cellulose methyl 2-hydroxypropyl ether hydrogen phthalate ester
  • Hypromellose phthalate
  • HPMCP-HP 55
  • HPMCP-HP 50
  • Glycidyl methacrylate-HPMCP copolymer
  • Hydroxyl propylmethylcellulose phthalate
  • HPMCP 50

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.

Imiquimod99011-02-6

Similar compounds

4-Chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline99010-64-771 % similar 1-(2-Methylpropyl)-1H-imidazo[4,5-C]quinoline99010-24-960 % similar S-9-(2-Hydroxypropyl)adenine14047-27-935 % similar D-(-)-9-(2-Hydroxypropyl)adenine14047-28-035 % similar 2-Chloro-N4-(2-methylpropyl)-3,4-quinolinediamine133860-76-135 % similar Phenyl hydrogen ((R)-1-(6-amino-9H-purin-9-YL)propan-2-yloxy)methylphosphonate379270-35-634 % similar 4-Amino-2-methylmercaptoquinazoline63963-40-634 % similar (S)-Tenofovir147127-19-333 % 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