1'-methylspiro[benzimidazole-2,3'-indole]-2'-one

C15H11N3O — CID 659228

IUPAC1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=c3ccccc3=N2)c2ccccc21
InChIInChI=1S/C15H11N3O/c1-18-13-9-5-2-6-10(13)15(14(18)19)16-11-7-3-4-8-12(11)17-15/h2-9H,1H3
InChIKeyHRECINZTPLTEQH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.77
Rot. Bonds

About 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one

1'-methylspiro[benzimidazole-2,3'-indole]-2'-one (PubChem CID 659228) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
PubChem CID659228
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=c3ccccc3=N2)c2ccccc21
InChIInChI=1S/C15H11N3O/c1-18-13-9-5-2-6-10(13)15(14(18)19)16-11-7-3-4-8-12(11)17-15/h2-9H,1H3
InChIKeyHRECINZTPLTEQH-UHFFFAOYSA-N
XLogP0.77
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
9,9,10-trimethylacridine
CID 610451
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one?
The IUPAC name of 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one (CID 659228) is 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one is CN1C(=O)C2(N=c3ccccc3=N2)c2ccccc21.
What is the InChIKey of 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one?
The InChIKey is HRECINZTPLTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-18-13-9-5-2-6-10(13)15(14(18)19)16-11-7-3-4-8-12(11)17-15/h2-9H,1H3.
What are the key properties of 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one?
1'-methylspiro[benzimidazole-2,3'-indole]-2'-one has a molecular weight of 249.27 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[benzimidazole-2,3'-indole]-2'-one is sourced from PubChem (CID 659228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).