2-(Difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-1H-benzimidazole

C₁₉H₂₁F₂N₇O₂CAS 475110-96-4417.42 g/mol

Open in Covalent MOL file

Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₁₉H₂₁F₂N₇O₂
Molar mass: 417.42 g/mol
Exact mass: 417.1725 Da
Melting point: 217–219 °C
logP: 1.82Crippen estimate
Polar surface area: 81.4 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 4

Identifiers

CAS number

475110-96-4

SMILES

FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

InChIKey

HGVNLRPZOWWDKD-UHFFFAOYSA-N

InChI

InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2

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Names and synonyms

3 names

1H-Benzimidazole, 2-(difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-
2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine
ZSTK 474

Work with 2-(Difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-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

2,4-Dichloro-6-morpholino-1,3,5-triazine6601-22-539 % similar 4-(4,6-Dichloropyrimidin-2-yl)morpholine10397-13-435 % similar 4-Phenylmorpholine92-53-533 % similar 2-(4-Morpholinothio)benzothiazole102-77-232 % similar 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine10244-24-332 % similar N-Phenylaza-15-crown-566750-10-532 % similar 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole110963-63-832 % similar 2-(4-Morpholinodithio)benzothiazole95-32-931 % similar

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

Elsewhere

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