5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

C14H15FN4O — CID 43749692

IUPAC5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(Cn1ccnc1)NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C14H15FN4O/c1-9(7-19-5-4-16-8-19)17-13-11-6-10(15)2-3-12(11)18-14(13)20/h2-6,8-9,13,17H,7H2,1H3,(H,18,20)
InChIKeyCRNFWMHVIHMVAS-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.69
Rot. Bonds4

About 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43749692) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43749692
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(Cn1ccnc1)NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C14H15FN4O/c1-9(7-19-5-4-16-8-19)17-13-11-6-10(15)2-3-12(11)18-14(13)20/h2-6,8-9,13,17H,7H2,1H3,(H,18,20)
InChIKeyCRNFWMHVIHMVAS-UHFFFAOYSA-N
XLogP1.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (CID 43749692) is 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is CC(Cn1ccnc1)NC1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is CRNFWMHVIHMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9(7-19-5-4-16-8-19)17-13-11-6-10(15)2-3-12(11)18-14(13)20/h2-6,8-9,13,17H,7H2,1H3,(H,18,20).
What are the key properties of 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-imidazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43749692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).