1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one

C23H23N3O2 — CID 19045414

IUPAC1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one
SMILESO=C1CC2(CCN(C3Cc4ccccc4C3)CC2)Oc2cc3nc[nH]c3cc21
InChIInChI=1S/C23H23N3O2/c27-21-13-23(28-22-12-20-19(11-18(21)22)24-14-25-20)5-7-26(8-6-23)17-9-15-3-1-2-4-16(15)10-17/h1-4,11-12,14,17H,5-10,13H2,(H,24,25)
InChIKeyBMBRZOJSTWRGGI-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.53
Rot. Bonds1

About 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one

1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one (PubChem CID 19045414) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one.

Molecular Properties

Compound Name1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one
PubChem CID19045414
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one
SMILESO=C1CC2(CCN(C3Cc4ccccc4C3)CC2)Oc2cc3nc[nH]c3cc21
InChIInChI=1S/C23H23N3O2/c27-21-13-23(28-22-12-20-19(11-18(21)22)24-14-25-20)5-7-26(8-6-23)17-9-15-3-1-2-4-16(15)10-17/h1-4,11-12,14,17H,5-10,13H2,(H,24,25)
InChIKeyBMBRZOJSTWRGGI-UHFFFAOYSA-N
XLogP3.53
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one?
The IUPAC name of 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one (CID 19045414) is 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one.
What is the SMILES notation for 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one?
The canonical SMILES for 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one is O=C1CC2(CCN(C3Cc4ccccc4C3)CC2)Oc2cc3nc[nH]c3cc21.
What is the InChIKey of 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one?
The InChIKey is BMBRZOJSTWRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21-13-23(28-22-12-20-19(11-18(21)22)24-14-25-20)5-7-26(8-6-23)17-9-15-3-1-2-4-16(15)10-17/h1-4,11-12,14,17H,5-10,13H2,(H,24,25).
What are the key properties of 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one?
1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one has a molecular weight of 373.46 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,3-dihydro-1H-inden-2-yl)spiro[1,7-dihydropyrano[2,3-f]benzimidazole-6,4'-piperidine]-8-one is sourced from PubChem (CID 19045414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).