5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one

C14H15BrN4O — CID 79344584

IUPAC5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(-n3ccnc3)c(Br)cc21
InChIInChI=1S/C14H15BrN4O/c1-2-3-17-13-9-6-10(15)12(19-5-4-16-8-19)7-11(9)18-14(13)20/h4-8,13,17H,2-3H2,1H3,(H,18,20)
InChIKeyAOGSSYJJQLKXCU-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.63
Rot. Bonds4

About 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one

5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 79344584) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID79344584
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(-n3ccnc3)c(Br)cc21
InChIInChI=1S/C14H15BrN4O/c1-2-3-17-13-9-6-10(15)12(19-5-4-16-8-19)7-11(9)18-14(13)20/h4-8,13,17H,2-3H2,1H3,(H,18,20)
InChIKeyAOGSSYJJQLKXCU-UHFFFAOYSA-N
XLogP2.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one (CID 79344584) is 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(-n3ccnc3)c(Br)cc21.
What is the InChIKey of 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is AOGSSYJJQLKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-2-3-17-13-9-6-10(15)12(19-5-4-16-8-19)7-11(9)18-14(13)20/h4-8,13,17H,2-3H2,1H3,(H,18,20).
What are the key properties of 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one?
5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 335.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).