chempirical

2-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole

C19H20N4CAS 152628-02-9304.40 g/mol

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Properties

Molecular formula
C19H20N4
Molar mass
304.40 g/mol
Exact mass
304.1688 Da
Melting point
130–135 °C
logP
4.38Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
152628-02-9
SMILES
CCCc1nc2cc(-c3nc4ccccc4n3C)cc(C)c2[nH]1
InChIKey
ILXRSCZVHSZGCS-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N4/c1-4-7-17-20-15-11-13(10-12(2)18(15)22-17)19-21-14-8-5-6-9-16(14)23(19)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)

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Names and synonyms

7 names
  • 2,5′-Bi-1H-benzimidazole, 1,7′-dimethyl-2′-propyl-
  • 1,7′-Dimethyl-2′-propyl-2,5′-bi-1H-benzimidazole
  • 4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
  • 1,7′-Dimethyl-2′-propyl-2,5′-bibenzimidazole
  • 2-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole
  • 1,7′-Dimethyl-2′-propyl-1H,1′H-2,5′-bibenzo[d]imidazole
  • 2-n-Propyl-4-methyl-6-(1′-methylbenzimidazole-2-yl)benzimidazole

Work with 2-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole

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

7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-047 % similar Telmisartan144701-48-445 % similar Methyl 4′-[[2-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]biphenyl-2-carboxylate528560-93-244 % similar 2-Propyl-1H-benzimidazole5465-29-241 % similar 2-Pentyl-1H-benzimidazole5851-46-734 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-531 % similar

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

Elsewhere

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