5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one
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5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one
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CAS No:
53786-28-0
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Formula:
C12H14ClN3O
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Chemical Name:
5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one
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Synonyms:
2H-Benzimidazol-2-one,5-chloro-1,3-dihydro-1-(4-piperidinyl)-;5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one;R 29676;5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one;5-Chloro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one;4-(6-Chloro-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine;5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one;5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one;5-Chloro-1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
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CAS No:
5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one Basic Attributes
251.71
251.71
258-771-6
53TAT94YDS
DTXSID4057764
2933990090
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (94.12%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one is a known human metabolite of domperidone.
5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one Use and Manufacturing
A metabolite of the gastrokinetic and antinauseant drug Domperidone (D531100).
Computed Properties
Molecular Weight:251.71
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:251.0825398
Monoisotopic Mass:251.0825398
Topological Polar Surface Area:44.4
Heavy Atom Count:17
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one
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