(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one

C15H8Cl2N4O — CID 167841410

IUPAC(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one
SMILESO=C1Nc2c(Cl)cc(Cl)cc2/C1=N\n1ncc2ccccc21
InChIInChI=1S/C15H8Cl2N4O/c16-9-5-10-13(11(17)6-9)19-15(22)14(10)20-21-12-4-2-1-3-8(12)7-18-21/h1-7H,(H,19,20,22)
InChIKeyMMBDNWYIUXHSSR-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.55
Rot. Bonds1

About (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one

(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one (PubChem CID 167841410) has the molecular formula C15H8Cl2N4O and a molecular weight of 331.16 g/mol. Its IUPAC name is (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one
PubChem CID167841410
Molecular FormulaC15H8Cl2N4O
Molecular Weight331.16 g/mol
Exact Mass330.01
IUPAC Name(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one
SMILESO=C1Nc2c(Cl)cc(Cl)cc2/C1=N\n1ncc2ccccc21
InChIInChI=1S/C15H8Cl2N4O/c16-9-5-10-13(11(17)6-9)19-15(22)14(10)20-21-12-4-2-1-3-8(12)7-18-21/h1-7H,(H,19,20,22)
InChIKeyMMBDNWYIUXHSSR-UHFFFAOYSA-N
XLogP3.55
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one?
The IUPAC name of (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one (CID 167841410) is (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one.
What is the SMILES notation for (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one?
The canonical SMILES for (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one is O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\n1ncc2ccccc21.
What is the InChIKey of (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one?
The InChIKey is MMBDNWYIUXHSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O/c16-9-5-10-13(11(17)6-9)19-15(22)14(10)20-21-12-4-2-1-3-8(12)7-18-21/h1-7H,(H,19,20,22).
What are the key properties of (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one?
(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one has a molecular weight of 331.16 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one is sourced from PubChem (CID 167841410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).