4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one

C14H14FN3O — CID 139500153

IUPAC4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one
SMILESCC(C)n1cnc2c1C(c1ccc(F)cc1)NC2=O
InChIInChI=1S/C14H14FN3O/c1-8(2)18-7-16-12-13(18)11(17-14(12)19)9-3-5-10(15)6-4-9/h3-8,11H,1-2H3,(H,17,19)
InChIKeyGAUCKKQOSDQJHX-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.44
Rot. Bonds2

About 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one

4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one (PubChem CID 139500153) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one
PubChem CID139500153
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one
SMILESCC(C)n1cnc2c1C(c1ccc(F)cc1)NC2=O
InChIInChI=1S/C14H14FN3O/c1-8(2)18-7-16-12-13(18)11(17-14(12)19)9-3-5-10(15)6-4-9/h3-8,11H,1-2H3,(H,17,19)
InChIKeyGAUCKKQOSDQJHX-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one (CID 139500153) is 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one is CC(C)n1cnc2c1C(c1ccc(F)cc1)NC2=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one?
The InChIKey is GAUCKKQOSDQJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8(2)18-7-16-12-13(18)11(17-14(12)19)9-3-5-10(15)6-4-9/h3-8,11H,1-2H3,(H,17,19).
What are the key properties of 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one?
4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one has a molecular weight of 259.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 139500153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).