1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one

C17H15N3O2 — CID 2972258

IUPAC1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCCC(=O)N1C(=O)C2(Nc3ccccc3N2)c2ccccc21
InChIInChI=1S/C17H15N3O2/c1-2-15(21)20-14-10-6-3-7-11(14)17(16(20)22)18-12-8-4-5-9-13(12)19-17/h3-10,18-19H,2H2,1H3
InChIKeyVUASZELONJQIFD-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.66
Rot. Bonds1

About 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one

1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (PubChem CID 2972258) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
PubChem CID2972258
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SMILESCCC(=O)N1C(=O)C2(Nc3ccccc3N2)c2ccccc21
InChIInChI=1S/C17H15N3O2/c1-2-15(21)20-14-10-6-3-7-11(14)17(16(20)22)18-12-8-4-5-9-13(12)19-17/h3-10,18-19H,2H2,1H3
InChIKeyVUASZELONJQIFD-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The IUPAC name of 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one (CID 2972258) is 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is CCC(=O)N1C(=O)C2(Nc3ccccc3N2)c2ccccc21.
What is the InChIKey of 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
The InChIKey is VUASZELONJQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-15(21)20-14-10-6-3-7-11(14)17(16(20)22)18-12-8-4-5-9-13(12)19-17/h3-10,18-19H,2H2,1H3.
What are the key properties of 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one?
1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one has a molecular weight of 293.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propanoylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one is sourced from PubChem (CID 2972258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).