3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one

C20H21N3O — CID 53494028

IUPAC3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one
SMILESCc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nc2)c1
InChIInChI=1S/C20H21N3O/c1-15-6-5-7-16(12-15)8-9-17-10-11-18(21-13-17)23-14-20(2,3)22(4)19(23)24/h5-7,10-13H,14H2,1-4H3
InChIKeyGGIKEFUVMYRUDZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.44
Rot. Bonds1

About 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one

3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 53494028) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID53494028
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one
SMILESCc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nc2)c1
InChIInChI=1S/C20H21N3O/c1-15-6-5-7-16(12-15)8-9-17-10-11-18(21-13-17)23-14-20(2,3)22(4)19(23)24/h5-7,10-13H,14H2,1-4H3
InChIKeyGGIKEFUVMYRUDZ-UHFFFAOYSA-N
XLogP3.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one (CID 53494028) is 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one is Cc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nc2)c1.
What is the InChIKey of 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is GGIKEFUVMYRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-6-5-7-16(12-15)8-9-17-10-11-18(21-13-17)23-14-20(2,3)22(4)19(23)24/h5-7,10-13H,14H2,1-4H3.
What are the key properties of 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[5-[2-(3-methylphenyl)ethynyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 53494028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).