3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile

C26H23F3N4O — CID 144993378

IUPAC3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile
SMILESCc1c(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2C)ccc(C#N)c1C(F)(F)F
InChIInChI=1S/C26H23F3N4O/c1-16-22(10-7-20(15-30)23(16)26(27,28)29)32-17(2)25(3,4)33(24(32)34)21-8-5-18(6-9-21)19-11-13-31-14-12-19/h5-14,17H,1-4H3
InChIKeyZWMLXDZEYMPUPI-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.56
Rot. Bonds3

About 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile

3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile (PubChem CID 144993378) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile
PubChem CID144993378
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile
SMILESCc1c(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2C)ccc(C#N)c1C(F)(F)F
InChIInChI=1S/C26H23F3N4O/c1-16-22(10-7-20(15-30)23(16)26(27,28)29)32-17(2)25(3,4)33(24(32)34)21-8-5-18(6-9-21)19-11-13-31-14-12-19/h5-14,17H,1-4H3
InChIKeyZWMLXDZEYMPUPI-UHFFFAOYSA-N
XLogP6.56
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile (CID 144993378) is 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile is Cc1c(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2C)ccc(C#N)c1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile?
The InChIKey is ZWMLXDZEYMPUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c1-16-22(10-7-20(15-30)23(16)26(27,28)29)32-17(2)25(3,4)33(24(32)34)21-8-5-18(6-9-21)19-11-13-31-14-12-19/h5-14,17H,1-4H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile?
3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile has a molecular weight of 464.49 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-4-[4,4,5-trimethyl-2-oxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 144993378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).