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

C13H9Cl2N3O2 — CID 61355262

IUPAC6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
SMILESCn1c(Cl)cnc1CN1C(=O)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C13H9Cl2N3O2/c1-17-10(15)5-16-11(17)6-18-9-4-7(14)2-3-8(9)12(19)13(18)20/h2-5H,6H2,1H3
InChIKeyLKYDJNGYEJNVAU-UHFFFAOYSA-N
MW310.14 g/mol
LogP2.46
Rot. Bonds2

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

6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione (PubChem CID 61355262) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
PubChem CID61355262
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC Name6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
SMILESCn1c(Cl)cnc1CN1C(=O)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C13H9Cl2N3O2/c1-17-10(15)5-16-11(17)6-18-9-4-7(14)2-3-8(9)12(19)13(18)20/h2-5H,6H2,1H3
InChIKeyLKYDJNGYEJNVAU-UHFFFAOYSA-N
XLogP2.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione (CID 61355262) is 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione is Cn1c(Cl)cnc1CN1C(=O)C(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is LKYDJNGYEJNVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c1-17-10(15)5-16-11(17)6-18-9-4-7(14)2-3-8(9)12(19)13(18)20/h2-5H,6H2,1H3.
What are the key properties of 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione?
6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 310.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61355262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).