3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H25N3O3 — CID 146025598

IUPAC3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(c1ccc2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25N3O3/c1-15(16-6-7-20-21(14-16)28-13-12-27-20)24-10-8-17(9-11-24)25-19-5-3-2-4-18(19)23-22(25)26/h2-7,14-15,17H,8-13H2,1H3,(H,23,26)
InChIKeyIDXCWZOBNMPRRG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.50
Rot. Bonds3

About 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 146025598) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID146025598
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(c1ccc2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25N3O3/c1-15(16-6-7-20-21(14-16)28-13-12-27-20)24-10-8-17(9-11-24)25-19-5-3-2-4-18(19)23-22(25)26/h2-7,14-15,17H,8-13H2,1H3,(H,23,26)
InChIKeyIDXCWZOBNMPRRG-UHFFFAOYSA-N
XLogP3.50
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 146025598) is 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(c1ccc2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is IDXCWZOBNMPRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(16-6-7-20-21(14-16)28-13-12-27-20)24-10-8-17(9-11-24)25-19-5-3-2-4-18(19)23-22(25)26/h2-7,14-15,17H,8-13H2,1H3,(H,23,26).
What are the key properties of 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 379.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 146025598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).