1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone

C13H15N3O — CID 14183261

IUPAC1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2cc3[nH]cnc3cc21
InChIInChI=1S/C13H15N3O/c1-8(17)16-6-13(2,3)9-4-10-11(5-12(9)16)15-7-14-10/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyOOZIUMWXSHQBMM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.21
Rot. Bonds

About 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone

1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone (PubChem CID 14183261) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
PubChem CID14183261
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2cc3[nH]cnc3cc21
InChIInChI=1S/C13H15N3O/c1-8(17)16-6-13(2,3)9-4-10-11(5-12(9)16)15-7-14-10/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyOOZIUMWXSHQBMM-UHFFFAOYSA-N
XLogP2.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone (CID 14183261) is 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone is CC(=O)N1CC(C)(C)c2cc3[nH]cnc3cc21.
What is the InChIKey of 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
The InChIKey is OOZIUMWXSHQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8(17)16-6-13(2,3)9-4-10-11(5-12(9)16)15-7-14-10/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone is sourced from PubChem (CID 14183261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).