1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione

C19H14N4O2 — CID 5100713

IUPAC1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione
SMILESCn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C19H14N4O2/c1-22-12-10-20-19(22)18(25)17(24)16-15(13-7-3-2-4-8-13)21-14-9-5-6-11-23(14)16/h2-12H,1H3
InChIKeyQORRRKNDAKGMBY-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.80
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione

1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione (PubChem CID 5100713) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione
PubChem CID5100713
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione
SMILESCn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C19H14N4O2/c1-22-12-10-20-19(22)18(25)17(24)16-15(13-7-3-2-4-8-13)21-14-9-5-6-11-23(14)16/h2-12H,1H3
InChIKeyQORRRKNDAKGMBY-UHFFFAOYSA-N
XLogP2.80
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione (CID 5100713) is 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione is Cn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione?
The InChIKey is QORRRKNDAKGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-22-12-10-20-19(22)18(25)17(24)16-15(13-7-3-2-4-8-13)21-14-9-5-6-11-23(14)16/h2-12H,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione?
1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione has a molecular weight of 330.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 5100713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).