chempirical

N,N-Dimethyl-1-(phenylmethyl)-1H-imidazole-5-carboxamide

C13H15N3OCAS 850429-56-0229.28 g/mol

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NONN
Amide

Properties

Molecular formula
C13H15N3O
Molar mass
229.28 g/mol
Exact mass
229.1215 Da
logP
1.63Crippen estimate
Polar surface area
38.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
850429-56-0
SMILES
CN(C)C(=O)c1cncn1Cc1ccccc1
InChIKey
GXZORRZVOFHVJZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N3O/c1-15(2)13(17)12-8-14-10-16(12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3

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Names and synonyms

1 names
  • 1H-Imidazole-5-carboxamide, N,N-dimethyl-1-(phenylmethyl)-

Work with N,N-Dimethyl-1-(phenylmethyl)-1H-imidazole-5-carboxamide

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,N-Dimethylbenzamide611-74-545 % similar 1-Benzyl-2-methylimidazole13750-62-436 % similar 1-Benzylimidazole4238-71-535 % similar Etomidate33125-97-234 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-433 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-033 % similar N,N-Diethylbenzamide1696-17-932 % similar Diphenamid957-51-732 % similar

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

Elsewhere

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