5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione

C15H14FN3O2 — CID 106893907

IUPAC5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCc1nccn1C)C(=O)C2=O
InChIInChI=1S/C15H14FN3O2/c1-9-7-10(16)8-11-13(9)19(15(21)14(11)20)5-3-12-17-4-6-18(12)2/h4,6-8H,3,5H2,1-2H3
InChIKeyONXMKGGOKSPHPS-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.64
Rot. Bonds3

About 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione

5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione (PubChem CID 106893907) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione
PubChem CID106893907
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCc1nccn1C)C(=O)C2=O
InChIInChI=1S/C15H14FN3O2/c1-9-7-10(16)8-11-13(9)19(15(21)14(11)20)5-3-12-17-4-6-18(12)2/h4,6-8H,3,5H2,1-2H3
InChIKeyONXMKGGOKSPHPS-UHFFFAOYSA-N
XLogP1.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione with MolForge

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Related Compounds

1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione
CID 106893795
5-fluoro-7-methyl-1-prop-2-ynylindole-2,3-dione
CID 106893797
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893899
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
CID 106893739
5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
CID 106893878
5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 79336013
5-iodo-2-[2-(1-methylimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 114532901
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
CID 106893814

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione (CID 106893907) is 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione is Cc1cc(F)cc2c1N(CCc1nccn1C)C(=O)C2=O.
What is the InChIKey of 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione?
The InChIKey is ONXMKGGOKSPHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-7-10(16)8-11-13(9)19(15(21)14(11)20)5-3-12-17-4-6-18(12)2/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione?
5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione has a molecular weight of 287.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 106893907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).