7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

C17H10F5N3O — CID 121471546

IUPAC7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2F)c2nc3ccc(F)cc3n21
InChIInChI=1S/C17H10F5N3O/c18-10-3-4-12-14(7-10)25-15(23-12)13(24-16(25)26)5-8-1-2-9(6-11(8)19)17(20,21)22/h1-4,6-7,13H,5H2,(H,24,26)
InChIKeySSGHQVZHBKVJBN-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.19
Rot. Bonds2

About 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one

7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (PubChem CID 121471546) has the molecular formula C17H10F5N3O and a molecular weight of 367.28 g/mol. Its IUPAC name is 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.

Molecular Properties

Compound Name7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
PubChem CID121471546
Molecular FormulaC17H10F5N3O
Molecular Weight367.28 g/mol
Exact Mass367.07
IUPAC Name7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2F)c2nc3ccc(F)cc3n21
InChIInChI=1S/C17H10F5N3O/c18-10-3-4-12-14(7-10)25-15(23-12)13(24-16(25)26)5-8-1-2-9(6-11(8)19)17(20,21)22/h1-4,6-7,13H,5H2,(H,24,26)
InChIKeySSGHQVZHBKVJBN-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The IUPAC name of 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one (CID 121471546) is 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one.
What is the SMILES notation for 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The canonical SMILES for 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is O=C1NC(Cc2ccc(C(F)(F)F)cc2F)c2nc3ccc(F)cc3n21.
What is the InChIKey of 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
The InChIKey is SSGHQVZHBKVJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O/c18-10-3-4-12-14(7-10)25-15(23-12)13(24-16(25)26)5-8-1-2-9(6-11(8)19)17(20,21)22/h1-4,6-7,13H,5H2,(H,24,26).
What are the key properties of 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one?
7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one has a molecular weight of 367.28 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one is sourced from PubChem (CID 121471546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).