3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one

C19H20N4O — CID 53494441

IUPAC3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one
SMILESCc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)c1
InChIInChI=1S/C19H20N4O/c1-14-6-5-7-15(12-14)8-9-16-10-11-17(21-20-16)23-13-19(2,3)22(4)18(23)24/h5-7,10-12H,13H2,1-4H3
InChIKeyIMUDQBCHEYOMPG-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.84
Rot. Bonds1

About 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one

3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one (PubChem CID 53494441) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one
PubChem CID53494441
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one
SMILESCc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)c1
InChIInChI=1S/C19H20N4O/c1-14-6-5-7-15(12-14)8-9-16-10-11-17(21-20-16)23-13-19(2,3)22(4)18(23)24/h5-7,10-12H,13H2,1-4H3
InChIKeyIMUDQBCHEYOMPG-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one (CID 53494441) is 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one is Cc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)c1.
What is the InChIKey of 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one?
The InChIKey is IMUDQBCHEYOMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-6-5-7-15(12-14)8-9-16-10-11-17(21-20-16)23-13-19(2,3)22(4)18(23)24/h5-7,10-12H,13H2,1-4H3.
What are the key properties of 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one?
3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one has a molecular weight of 320.40 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[6-[2-(3-methylphenyl)ethynyl]pyridazin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 53494441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).