3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride

C15H22ClN3O — CID 44664394

IUPAC3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride
SMILESO=c1[nH]c2ccccc2n1CCC[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C15H21N3O.ClH/c19-15-16-13-7-2-3-8-14(13)18(15)12-6-11-17-9-4-1-5-10-17;/h2-3,7-8H,1,4-6,9-12H2,(H,16,19);1H
InChIKeyDFEIZGLCDFKTBI-UHFFFAOYSA-N
MW295.81 g/mol
LogP-2.21
Rot. Bonds4

About 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride

3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride (PubChem CID 44664394) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride.

Molecular Properties

Compound Name3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride
PubChem CID44664394
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride
SMILESO=c1[nH]c2ccccc2n1CCC[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C15H21N3O.ClH/c19-15-16-13-7-2-3-8-14(13)18(15)12-6-11-17-9-4-1-5-10-17;/h2-3,7-8H,1,4-6,9-12H2,(H,16,19);1H
InChIKeyDFEIZGLCDFKTBI-UHFFFAOYSA-N
XLogP-2.21
TPSA42.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one
CID 5255699
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17426409
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
CID 70523740
CID 70523740
3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
CID 106937791
3-[3-(piperidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
CID 106937761
3-[3-(3-aminopropylsulfanyl)propyl]-1H-benzimidazol-2-one
CID 66219529
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127975

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride?
The IUPAC name of 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride (CID 44664394) is 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride.
What is the SMILES notation for 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride?
The canonical SMILES for 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride is O=c1[nH]c2ccccc2n1CCC[NH+]1CCCCC1.[Cl-].
What is the InChIKey of 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride?
The InChIKey is DFEIZGLCDFKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c19-15-16-13-7-2-3-8-14(13)18(15)12-6-11-17-9-4-1-5-10-17;/h2-3,7-8H,1,4-6,9-12H2,(H,16,19);1H.
What are the key properties of 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride?
3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride has a molecular weight of 295.81 g/mol, XLogP of -2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride is sourced from PubChem (CID 44664394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).