1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one

C25H31N3O2 — CID 10272659

IUPAC1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one
SMILESO=c1n(CCO)c2ccccc2n1CCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H31N3O2/c29-19-18-28-23-9-4-3-8-22(23)27(24(28)30)15-5-14-26-16-12-25(13-17-26)11-10-20-6-1-2-7-21(20)25/h1-4,6-9,29H,5,10-19H2
InChIKeyBFVAWJHPGBDANG-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one

1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one (PubChem CID 10272659) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one
PubChem CID10272659
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one
SMILESO=c1n(CCO)c2ccccc2n1CCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H31N3O2/c29-19-18-28-23-9-4-3-8-22(23)27(24(28)30)15-5-14-26-16-12-25(13-17-26)11-10-20-6-1-2-7-21(20)25/h1-4,6-9,29H,5,10-19H2
InChIKeyBFVAWJHPGBDANG-UHFFFAOYSA-N
XLogP3.17
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one (CID 10272659) is 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one is O=c1n(CCO)c2ccccc2n1CCCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one?
The InChIKey is BFVAWJHPGBDANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-19-18-28-23-9-4-3-8-22(23)27(24(28)30)15-5-14-26-16-12-25(13-17-26)11-10-20-6-1-2-7-21(20)25/h1-4,6-9,29H,5,10-19H2.
What are the key properties of 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one?
1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one has a molecular weight of 405.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzimidazol-2-one is sourced from PubChem (CID 10272659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).