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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Related Compounds

5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70422686
5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135425336
2-(2-chloro-4-pyridinyl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 59300807
5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135425354
4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
CID 156537336
5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135491899
1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
CID 14183261
2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421947
5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride
CID 70423208
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 135501813
1-ethyl-3,3-dimethyl-6-nitroindol-2-one
CID 69071675
7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70891665

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).