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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 104607Generated: October 26, 2026

5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one

DoMperidone EP IMpurity A · 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one · 5-Chloro-1-piperidine-4-yl-1,3-dihydro-2H-benzimidazol-2-one · R-29676 · 5-Chloro-1-(p · Domperidone int2 · Domperidone (RC-5) · TIMTEC-BB SBB003137

https://huagongshe.com/en/chemical/104607

5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one molecular structure

Identifiers & Physical Properties

CAS No.53786-28-0
Molecular formulaC12H14ClN3O
Average molar mass251.71 g/mol
Monoisotopic mass251.08253975 g/mol
SMILESO=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1
InChIKeyDOAYWDKFDPSTSV-UHFFFAOYSA-N
PubChem CID104607
ChEMBLCHEMBL3189082
ChEBICHEBI:196094
EC No.258-771-6
DTXSIDDTXSID4057764

Chemical & Physical Properties

XLogP2.6
Topological polar surface area44.4
Hydrogen bond donors2
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms17
Formal charge0
Complexity306
DrugsPharmaceuticals -> Metabolite of Domperidone
LogP (partition coefficient)1.59
Collision Cross Section154.04 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Melting point228-231 °C (lit.)
Density1.323±0.06 g/cm3(Predicted)
Vapor pressure0Pa at 20℃
Storage conditionsRefrigerator
SolubilityDMSO (Slightly), Methanol (Slightly)549mg/L at 20℃
Physical statePowder to crystal
pKa (acidity coefficient)11.12±0.30(Predicted)
ColorWhite to Off-White
InChIInChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
InChIKeyDOAYWDKFDPSTSV-UHFFFAOYSA-N
SMILESC1(=O)N(C2CCNCC2)C2=CC=C(Cl)C=C2N1
LogP (partition coefficient)-0.6 at 20℃
CAS DataBase Reference53786-28-0(CAS DataBase Reference)
FDA UNII53TAT94YDS
UNSPSC Code12352100
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP280a-P304+P340-P405-P501a-P261-P305+P351+P338
Target organsRespiratory system
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXi
Risk statements (R)36/37/38
Safety statements (S)26-36
Water hazard class (WGK)3
Customs code29339980
Storage class11 - Combustible Solids
Hazard classEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH registrationsActive

Safety & Regulations

GHS classificationWarningH315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationStatus: Active Update: 28-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22558
Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
Customs code29339980
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)26-36
Storage class11 - Combustible Solids
Target organsRespiratory system
GHS hazard statementsH315-H319-H335
REACH registrationsActive
Hazard classEye Irrit. 2Skin Irrit. 2STOT SE 3
GHS precautionary statementsP280a-P304+P340-P405-P501a-P261-P305+P351+P338

Applications & Uses

Uses

5-Chloro-1-(4-piperidinyl)-2-benzimidazolidinone (Domperidone EP Impurity A) is a metabolite of the gastrokinetic and antinauseant drug Domperidone (D531100).

Uses

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone is a metabolite of the gastrokinetic and antinauseant drug Domperidone (D531100).

General Description

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone is a 2-benzimidazolone derivative. It exhibits anti-nauseant properties.