6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one

C19H17FN4O — CID 118525976

IUPAC6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-c3cn(-c4ccnc(F)c4)cn3)cc21
InChIInChI=1S/C19H17FN4O/c1-19(2)14-5-4-12(8-16(14)23(3)18(19)25)15-10-24(11-22-15)13-6-7-21-17(20)9-13/h4-11H,1-3H3
InChIKeyROALCGRJXDLAPQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.33
Rot. Bonds2

About 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one

6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one (PubChem CID 118525976) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one
PubChem CID118525976
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-c3cn(-c4ccnc(F)c4)cn3)cc21
InChIInChI=1S/C19H17FN4O/c1-19(2)14-5-4-12(8-16(14)23(3)18(19)25)15-10-24(11-22-15)13-6-7-21-17(20)9-13/h4-11H,1-3H3
InChIKeyROALCGRJXDLAPQ-UHFFFAOYSA-N
XLogP3.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one (CID 118525976) is 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2ccc(-c3cn(-c4ccnc(F)c4)cn3)cc21.
What is the InChIKey of 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one?
The InChIKey is ROALCGRJXDLAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-19(2)14-5-4-12(8-16(14)23(3)18(19)25)15-10-24(11-22-15)13-6-7-21-17(20)9-13/h4-11H,1-3H3.
What are the key properties of 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one?
6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluoro-4-pyridinyl)imidazol-4-yl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 118525976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).