6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole

C₁₅H₁₃ClF₂N₄CAS 1231930-42-9322.74 g/mol

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Properties

Molecular formula: C₁₅H₁₃ClF₂N₄
Molar mass: 322.74 g/mol
Exact mass: 322.0797 Da
logP: 4.31Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

1231930-42-9

SMILES

Cc1nc2c(F)cc(-c3nc(Cl)ncc3F)cc2n1C(C)C

InChIKey

BDVDXNYOCBUMNP-UHFFFAOYSA-N

InChI

InChI=1S/C15H13ClF2N4/c1-7(2)22-8(3)20-14-10(17)4-9(5-12(14)22)13-11(18)6-19-15(16)21-13/h4-7H,1-3H3

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Names and synonyms

2 names

1H-Benzimidazole, 6-(2-chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-
6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzimidazole

Work with 6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1H-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

6-Bromo-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole1231930-33-856 % similar Abemaciclib1231929-97-754 % similar 4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1231930-37-249 % similar 2,4-Dichloro-5-fluoropyrimidine2927-71-133 % similar

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

Elsewhere

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