6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione

C15H15N3O2 — CID 66141121

IUPAC6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
SMILESCc1ccc2c(c1C)N(Cc1cncn1C)C(=O)C2=O
InChIInChI=1S/C15H15N3O2/c1-9-4-5-12-13(10(9)2)18(15(20)14(12)19)7-11-6-16-8-17(11)3/h4-6,8H,7H2,1-3H3
InChIKeyWMCUQGUOZPUHBX-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.77
Rot. Bonds2

About 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione

6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione (PubChem CID 66141121) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
PubChem CID66141121
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
SMILESCc1ccc2c(c1C)N(Cc1cncn1C)C(=O)C2=O
InChIInChI=1S/C15H15N3O2/c1-9-4-5-12-13(10(9)2)18(15(20)14(12)19)7-11-6-16-8-17(11)3/h4-6,8H,7H2,1-3H3
InChIKeyWMCUQGUOZPUHBX-UHFFFAOYSA-N
XLogP1.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.77
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 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione (CID 66141121) is 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione is Cc1ccc2c(c1C)N(Cc1cncn1C)C(=O)C2=O.
What is the InChIKey of 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is WMCUQGUOZPUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-4-5-12-13(10(9)2)18(15(20)14(12)19)7-11-6-16-8-17(11)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione?
6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 269.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 66141121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).