5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one

C13H15N3O — CID 141143468

IUPAC5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]cnc3cc21
InChIInChI=1S/C13H15N3O/c1-4-16-11-6-10-9(14-7-15-10)5-8(11)13(2,3)12(16)17/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyQHFXCZXXHAQEIT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.21
Rot. Bonds1

About 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 141143468) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID141143468
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]cnc3cc21
InChIInChI=1S/C13H15N3O/c1-4-16-11-6-10-9(14-7-15-10)5-8(11)13(2,3)12(16)17/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyQHFXCZXXHAQEIT-UHFFFAOYSA-N
XLogP2.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 141143468) is 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3[nH]cnc3cc21.
What is the InChIKey of 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is QHFXCZXXHAQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-4-16-11-6-10-9(14-7-15-10)5-8(11)13(2,3)12(16)17/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 141143468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).