5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione

C13H9ClFN3O2 — CID 79336013

IUPAC5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione
SMILESCn1ccnc1CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H9ClFN3O2/c1-17-3-2-16-11(17)6-18-10-5-9(15)8(14)4-7(10)12(19)13(18)20/h2-5H,6H2,1H3
InChIKeyLRXQWAIMKKYRIL-UHFFFAOYSA-N
MW293.69 g/mol
LogP1.94
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione

5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione (PubChem CID 79336013) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione
PubChem CID79336013
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione
SMILESCn1ccnc1CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H9ClFN3O2/c1-17-3-2-16-11(17)6-18-10-5-9(15)8(14)4-7(10)12(19)13(18)20/h2-5H,6H2,1H3
InChIKeyLRXQWAIMKKYRIL-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione
CID 82866233
5-chloro-1-(3,3-dimethylbutyl)-6-fluoroindole-2,3-dione
CID 79336562
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057
5-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 79336284
4-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylbutanenitrile
CID 79336431
1-[(4-bromothiophen-2-yl)methyl]-5-chloro-6-fluoroindole-2,3-dione
CID 79336223
5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione
CID 106893907
1-[(4-chloro-2-pyridinyl)methyl]-5,6-difluoroindole-2,3-dione
CID 80727787
2-[(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 79348912
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5,6-difluoroindole-2,3-dione
CID 80746483
1-(3-bromo-2-hydroxypropyl)-5-chloro-6-fluoroindole-2,3-dione
CID 112560383
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-fluoroindole-2,3-dione
CID 43326927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione (CID 79336013) is 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione is Cn1ccnc1CN1C(=O)C(=O)c2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is LRXQWAIMKKYRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c1-17-3-2-16-11(17)6-18-10-5-9(15)8(14)4-7(10)12(19)13(18)20/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 293.69 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(1-methylimidazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79336013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).