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

C14H12ClN3O3 — CID 61355412

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(Cc1ncc(Cl)n1C)C(=O)C2=O
InChIInChI=1S/C14H12ClN3O3/c1-17-11(15)6-16-12(17)7-18-10-5-8(21-2)3-4-9(10)13(19)14(18)20/h3-6H,7H2,1-2H3
InChIKeyLUWWTUHPCHGLJL-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.81
Rot. Bonds3

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

1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione (PubChem CID 61355412) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione
PubChem CID61355412
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(Cc1ncc(Cl)n1C)C(=O)C2=O
InChIInChI=1S/C14H12ClN3O3/c1-17-11(15)6-16-12(17)7-18-10-5-8(21-2)3-4-9(10)13(19)14(18)20/h3-6H,7H2,1-2H3
InChIKeyLUWWTUHPCHGLJL-UHFFFAOYSA-N
XLogP1.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 61355262
1-[(6-chloro-3-pyridinyl)methyl]-6-methoxyindole-2,3-dione
CID 61356241
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
4-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 61359117
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione
CID 61356226
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyindole-2,3-dione
CID 79765636
6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione
CID 115942889
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione (CID 61355412) is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione is COc1ccc2c(c1)N(Cc1ncc(Cl)n1C)C(=O)C2=O.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione?
The InChIKey is LUWWTUHPCHGLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-17-11(15)6-16-12(17)7-18-10-5-8(21-2)3-4-9(10)13(19)14(18)20/h3-6H,7H2,1-2H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione?
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione has a molecular weight of 305.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione is sourced from PubChem (CID 61355412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).