4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride

C12H16ClN3O2 — CID 167717496

IUPAC4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2cccc(O)c2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2.ClH/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8;/h1-3,8,13,16H,4-7H2,(H,14,17);1H
InChIKeyJCWQYOIUJQCVAJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.38
Rot. Bonds1

About 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride

4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 167717496) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
PubChem CID167717496
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2cccc(O)c2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2.ClH/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8;/h1-3,8,13,16H,4-7H2,(H,14,17);1H
InChIKeyJCWQYOIUJQCVAJ-UHFFFAOYSA-N
XLogP1.38
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Hydroxydomperidone (M5)
CID 102089308
Hydroxydomperidone (M1)
CID 169502210
4-hydroxy-1H-benzo[d]imidazol-2(3H)-one
CID 12926629
1-(2-Hydroxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea
CID 14763344
3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one
CID 56662986
1-(2-Hydroxyphenyl)-4-ethylcarbamoyl-piperazine
CID 16376250
N-(3-hydroxyphenyl)piperidine-1-carboxamide
CID 1121886
4-hydroxy-1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
CID 167742156
Tetrahydro-6-hydroxyphenyl-2(1H)-pyrimidinone
CID 11557437
Dihydroxybenzimidazolinone
CID 67897808
7-hydroxy-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 9801438
4-hydroxy-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 9909280

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (CID 167717496) is 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is Cl.O=c1[nH]c2cccc(O)c2n1C1CCNCC1.
What is the InChIKey of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is JCWQYOIUJQCVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8;/h1-3,8,13,16H,4-7H2,(H,14,17);1H.
What are the key properties of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 167717496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).