chempirical

1,3-Dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one

C10H10N2OCAS 52099-72-6174.20 g/mol

Open in Covalent MOL file
NHON
AlkenePhenol

Properties

Molecular formula
C10H10N2O
Molar mass
174.20 g/mol
Exact mass
174.0793 Da
Melting point
121–122 °C
logP
2.23Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
52099-72-6
SMILES
C=C(C)n1c(O)nc2ccccc21
InChIKey
XFASJWLBXHWUMW-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13)

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

Names and synonyms

12 names
  • 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-methylethenyl)-
  • 2-Benzimidazolinone, 1-isopropenyl-
  • N-Isopropenyl-2-benzimidazolone
  • 1-Isopropenyl-2-benzimidazolidinone
  • 1-Isopropenyl-2-benzimidazolone
  • NSC 280600
  • 1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one
  • 1-Isopropenyl-1H-benzoimidazol-2-ol
  • 1-(Prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
  • 1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one
  • 1-(Prop-1-en-2-yl)-1H-1,3-benzodiazol-2-ol
  • 3-Prop-1-en-2-yl-1H-benzimidazol-2-one

Work with 1,3-Dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one

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

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one20662-53-742 % similar 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one62780-89-640 % similar Droperidol548-73-234 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-533 % similar Benomyl17804-35-232 % similar Oxatomide60607-34-332 % similar Pimozide2062-78-432 % similar Benperidol2062-84-231 % similar

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

Same formula

1-(4-Methoxyphenyl)-1H-imidazole10040-95-6 3-Methyl-1-phenylpyrazolone19735-89-8 7-Amino-4-methyl-2-quinolinone19840-99-4 Indole-3-acetamide879-37-8 Edaravone89-25-8 6-Methoxy-8-aminoquinoline90-52-8

Elsewhere

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