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

C12H12F3N3O — CID 67937847

IUPAC7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3
InChIInChI=1S/C12H12F3N3O/c1-11(2)5-3-7-8(4-6(5)18-10(11)19)17-9(16-7)12(13,14)15/h3-4,9,16-17H,1-2H3,(H,18,19)
InChIKeyKJPNORZYBWIXJK-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.64
Rot. Bonds

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

7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 67937847) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID67937847
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3
InChIInChI=1S/C12H12F3N3O/c1-11(2)5-3-7-8(4-6(5)18-10(11)19)17-9(16-7)12(13,14)15/h3-4,9,16-17H,1-2H3,(H,18,19)
InChIKeyKJPNORZYBWIXJK-UHFFFAOYSA-N
XLogP2.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (CID 67937847) is 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3.
What is the InChIKey of 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is KJPNORZYBWIXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-11(2)5-3-7-8(4-6(5)18-10(11)19)17-9(16-7)12(13,14)15/h3-4,9,16-17H,1-2H3,(H,18,19).
What are the key properties of 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 271.24 g/mol, XLogP of 2.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 67937847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).