Emedastine

C₁₇H₂₆N₄OCAS 87233-61-2302.42 g/mol

Open in Covalent MOL file

Ether Tertiary amine

Properties

Molecular formula: C₁₇H₂₆N₄O
Molar mass: 302.42 g/mol
Exact mass: 302.2107 Da
logP: 2.21Crippen estimate
Polar surface area: 33.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Identifiers

CAS number

87233-61-2

SMILES

CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21

InChIKey

KBUZBQVCBVDWKX-UHFFFAOYSA-N

InChI

InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-
1H-1,4-Diazepine, 1H-benzimidazole deriv.
1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1H-benzimidazole
1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

Work with Emedastine

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

Emedastine difumarate87233-62-379 % similar 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole110963-63-847 % similar Bilastine202189-78-438 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-533 % similar 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one62780-89-632 % similar Mizolastine108612-45-931 % similar Oxatomide60607-34-331 % similar Flibanserin167933-07-531 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook