5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one

C12H10ClN3O — CID 116884391

IUPAC5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cnc(Cl)[nH]3)ccc21
InChIInChI=1S/C12H10ClN3O/c1-16-10-3-2-7(4-8(10)5-11(16)17)9-6-14-12(13)15-9/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyYTXCXERKWRNDGS-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.25
Rot. Bonds1

About 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one

5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one (PubChem CID 116884391) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
PubChem CID116884391
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cnc(Cl)[nH]3)ccc21
InChIInChI=1S/C12H10ClN3O/c1-16-10-3-2-7(4-8(10)5-11(16)17)9-6-14-12(13)15-9/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyYTXCXERKWRNDGS-UHFFFAOYSA-N
XLogP2.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one (CID 116884391) is 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3cnc(Cl)[nH]3)ccc21.
What is the InChIKey of 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one?
The InChIKey is YTXCXERKWRNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-16-10-3-2-7(4-8(10)5-11(16)17)9-6-14-12(13)15-9/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one?
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one has a molecular weight of 247.69 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116884391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).