1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione

C10H10N4O2 — CID 10353319

IUPAC1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione
SMILESCc1cn(C(=O)C(=O)n2cnc(C)c2)cn1
InChIInChI=1S/C10H10N4O2/c1-7-3-13(5-11-7)9(15)10(16)14-4-8(2)12-6-14/h3-6H,1-2H3
InChIKeyYHJYGNIYPOURDB-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.68
Rot. Bonds

About 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione

1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione (PubChem CID 10353319) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione
PubChem CID10353319
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione
SMILESCc1cn(C(=O)C(=O)n2cnc(C)c2)cn1
InChIInChI=1S/C10H10N4O2/c1-7-3-13(5-11-7)9(15)10(16)14-4-8(2)12-6-14/h3-6H,1-2H3
InChIKeyYHJYGNIYPOURDB-UHFFFAOYSA-N
XLogP0.68
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-bis(4-methylimidazol-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione (CID 10353319) is 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione is Cc1cn(C(=O)C(=O)n2cnc(C)c2)cn1.
What is the InChIKey of 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione?
The InChIKey is YHJYGNIYPOURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-3-13(5-11-7)9(15)10(16)14-4-8(2)12-6-14/h3-6H,1-2H3.
What are the key properties of 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione?
1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione has a molecular weight of 218.22 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylimidazol-1-yl)ethane-1,2-dione is sourced from PubChem (CID 10353319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).