6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one

C14H15FN4O — CID 43126752

IUPAC6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCCCn1ccnc1
InChIInChI=1S/C14H15FN4O/c15-10-2-3-11-12(8-10)18-14(20)13(11)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9,13,17H,1,4,6H2,(H,18,20)
InChIKeyZPWJPXBHXHJLKO-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.70
Rot. Bonds5

About 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one

6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one (PubChem CID 43126752) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one
PubChem CID43126752
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCCCn1ccnc1
InChIInChI=1S/C14H15FN4O/c15-10-2-3-11-12(8-10)18-14(20)13(11)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9,13,17H,1,4,6H2,(H,18,20)
InChIKeyZPWJPXBHXHJLKO-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one (CID 43126752) is 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCCCn1ccnc1.
What is the InChIKey of 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one?
The InChIKey is ZPWJPXBHXHJLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-2-3-11-12(8-10)18-14(20)13(11)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9,13,17H,1,4,6H2,(H,18,20).
What are the key properties of 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one?
6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-imidazol-1-ylpropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43126752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).