7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C12H12F3N3O — CID 67937874

IUPAC7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCC1C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3
InChIInChI=1S/C12H12F3N3O/c1-2-5-6-3-8-9(4-7(6)16-10(5)19)18-11(17-8)12(13,14)15/h3-5,11,17-18H,2H2,1H3,(H,16,19)
InChIKeyOPQSACBJUNICHM-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.86
Rot. Bonds1

About 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 67937874) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID67937874
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCC1C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3
InChIInChI=1S/C12H12F3N3O/c1-2-5-6-3-8-9(4-7(6)16-10(5)19)18-11(17-8)12(13,14)15/h3-5,11,17-18H,2H2,1H3,(H,16,19)
InChIKeyOPQSACBJUNICHM-UHFFFAOYSA-N
XLogP2.86
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-diamino-2,3-dihydro-1H-indol-2-one
CID 22162321
7,7-Dimethyl-2-hydroxy-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 15595463
7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 15595466
1,7,7-Trimethyl-2-hydroxy-6,7-dihydro-5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 20149418
1-[5-(Dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea
CID 122184158
7-(Ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 166132841
cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 56884137
5,6-Diamino-3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one
CID 59300746
5,6-Diamino-3,3-dimethyl-1-(3,3,3-trifluoropropyl)indol-2-one
CID 59300975
5,6-Diamino-3,3-dimethyl-1-(4,4,4-trifluorobutyl)indol-2-one
CID 59300979
7-methyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 67937731
7-Acetyl-7-methyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 67937756

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 67937874) is 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCC1C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3.
What is the InChIKey of 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is OPQSACBJUNICHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-5-6-3-8-9(4-7(6)16-10(5)19)18-11(17-8)12(13,14)15/h3-5,11,17-18H,2H2,1H3,(H,16,19).
What are the key properties of 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 271.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 67937874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).