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

C13H17N3O — CID 70392386

IUPAC1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2cc3c(cc21)NCN3
InChIInChI=1S/C13H17N3O/c1-8(17)16-6-13(2,3)9-4-10-11(5-12(9)16)15-7-14-10/h4-5,14-15H,6-7H2,1-3H3
InChIKeyFPOKDDVULILXNX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.13
Rot. Bonds

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

1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone (PubChem CID 70392386) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
PubChem CID70392386
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2cc3c(cc21)NCN3
InChIInChI=1S/C13H17N3O/c1-8(17)16-6-13(2,3)9-4-10-11(5-12(9)16)15-7-14-10/h4-5,14-15H,6-7H2,1-3H3
InChIKeyFPOKDDVULILXNX-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone (CID 70392386) is 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone is CC(=O)N1CC(C)(C)c2cc3c(cc21)NCN3.
What is the InChIKey of 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
The InChIKey is FPOKDDVULILXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(17)16-6-13(2,3)9-4-10-11(5-12(9)16)15-7-14-10/h4-5,14-15H,6-7H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone?
1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone has a molecular weight of 231.30 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone is sourced from PubChem (CID 70392386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).