5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one

C12H7Br2N3O — CID 57220889

IUPAC5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1=Cc1ncc[nH]1
InChIInChI=1S/C12H7Br2N3O/c13-6-3-7-8(5-10-15-1-2-16-10)12(18)17-11(7)9(14)4-6/h1-5H,(H,15,16)(H,17,18)
InChIKeyREGWFAYCNSALNT-UHFFFAOYSA-N
MW369.02 g/mol
LogP3.43
Rot. Bonds1

About 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one

5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 57220889) has the molecular formula C12H7Br2N3O and a molecular weight of 369.02 g/mol. Its IUPAC name is 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
PubChem CID57220889
Molecular FormulaC12H7Br2N3O
Molecular Weight369.02 g/mol
Exact Mass366.90
IUPAC Name5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1=Cc1ncc[nH]1
InChIInChI=1S/C12H7Br2N3O/c13-6-3-7-8(5-10-15-1-2-16-10)12(18)17-11(7)9(14)4-6/h1-5H,(H,15,16)(H,17,18)
InChIKeyREGWFAYCNSALNT-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one (CID 57220889) is 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2c(Br)cc(Br)cc2C1=Cc1ncc[nH]1.
What is the InChIKey of 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is REGWFAYCNSALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3O/c13-6-3-7-8(5-10-15-1-2-16-10)12(18)17-11(7)9(14)4-6/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 369.02 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 57220889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).