Oxatomide

C₂₇H₃₀N₄OCAS 60607-34-3426.56 g/mol

Open in Covalent MOL file

Phenol Tertiary amine

Properties

Molecular formula: C₂₇H₃₀N₄O
Molar mass: 426.56 g/mol
Exact mass: 426.2420 Da
Melting point: 153.6 °C
logP: 4.54Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

Identifiers

CAS number

60607-34-3

SMILES

Oc1nc2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

InChIKey

BAINIUMDFURPJM-UHFFFAOYSA-N

InChI

InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)

Weigh it out

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

Names and synonyms

11 names

2H-Benzimidazol-2-one, 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-
1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one
R 35443
KW 4354
Dasten
Celtect
Tinset
Cobiona
NSC 309710
1-[3-[4-(Diphenylmethyl)piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-olate
1-[3-(4-Benzhydrylpiperazin-1-ium-1-yl)propyl]benzimidazol-2-olate

Work with Oxatomide

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

Domperidone57808-66-954 % similar 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one62780-89-653 % similar Flibanserin167933-07-547 % similar 2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (2Z)-2-butenedioate99497-03-746 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-543 % similar Pimozide2062-78-442 % similar 2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol3733-63-941 % similar Hydroxydiethylphenamine13073-96-639 % similar

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

Elsewhere

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