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Domperidone

C22H24ClN5O2 — CID 3151

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
InChIKeyFGXWKSZFVQUSTL-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.35
Rot. Bonds5

About Domperidone

Domperidone (PubChem CID 3151) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound NameDomperidone
PubChem CID3151
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
InChIKeyFGXWKSZFVQUSTL-UHFFFAOYSA-N
XLogP3.35
TPSA78.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sr-17018
CID 130431397
Domperidone Maleate
CID 6604595
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
2H-Benzimidazol-2-one, 6-chloro-1-(cyclohexylmethyl)-1,3-dihydro-
CID 5276384
1-(3,5-Dichlorophenyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263864
Clodazon
CID 20883
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-phenyl-
CID 649443
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
Benzimidazolone scaffold, 15g
CID 25256850
Benzimidazolone scaffold, 15m
CID 25256855

Frequently Asked Questions

What is the IUPAC name of Domperidone?
The IUPAC name of Domperidone (CID 3151) is 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for Domperidone?
The canonical SMILES for Domperidone is O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.
What is the InChIKey of Domperidone?
The InChIKey is FGXWKSZFVQUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30).
What are the key properties of Domperidone?
Domperidone has a molecular weight of 425.92 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Domperidone is sourced from PubChem (CID 3151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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