Imidafenacin

C20H21N3OCAS 170105-16-5319.41 g/mol

Open in Covalent MOL file
NNNH2O

Properties

Molecular formula
C20H21N3O
Molar mass
319.41 g/mol
Exact mass
319.1685 Da
logP
4.10Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
170105-16-5
SMILES
Cc1nccn1CCC(C(=N)O)(c1ccccc1)c1ccccc1
InChIKey
SQKXYSGRELMAAU-UHFFFAOYSA-N
InChI
InChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Imidazole-1-butanamide, 2-methyl-α,α-diphenyl-
  • 2-Methyl-α,α-diphenyl-1H-imidazole-1-butanamide
  • KRP 197
  • 4-(2-Methyl-1-imidazolyl)-2,2-diphenylbutanamide
  • ONO 8025
  • Staybla
  • Uritos
  • 4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide

Work with Imidafenacin

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

1-Benzyl-2-methylimidazole13750-62-445 % similar Disopyramide3737-09-544 % similar 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-944 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-243 % similar 1-Propyl-2-methylimidazole33214-18-541 % similar 1-Cyanoethyl-2-methylimidazole23996-55-641 % similar Aminopentamide60-46-841 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook