1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione

C14H13N3O2 — CID 61493870

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
SMILESCc1nccn1CCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C14H13N3O2/c1-10-15-6-7-16(10)8-9-17-12-5-3-2-4-11(12)13(18)14(17)19/h2-7H,8-9H2,1H3
InChIKeyVHZNKNUZEQVMSA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione

1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione (PubChem CID 61493870) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
PubChem CID61493870
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
SMILESCc1nccn1CCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C14H13N3O2/c1-10-15-6-7-16(10)8-9-17-12-5-3-2-4-11(12)13(18)14(17)19/h2-7H,8-9H2,1H3
InChIKeyVHZNKNUZEQVMSA-UHFFFAOYSA-N
XLogP1.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.42
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 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione (CID 61493870) is 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione is Cc1nccn1CCN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
The InChIKey is VHZNKNUZEQVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-15-6-7-16(10)8-9-17-12-5-3-2-4-11(12)13(18)14(17)19/h2-7H,8-9H2,1H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione has a molecular weight of 255.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 61493870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).