3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine

C19H20F3N3 — CID 20512447

IUPAC3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine
SMILES[H]/N=C1\N(c2cccc(C(F)(F)F)c2)CC(C)N1c1c(C)cccc1C
InChIInChI=1S/C19H20F3N3/c1-12-6-4-7-13(2)17(12)25-14(3)11-24(18(25)23)16-9-5-8-15(10-16)19(20,21)22/h4-10,14,23H,11H2,1-3H3/b23-18+
InChIKeyQLIFXQXMQXHYRM-PTGBLXJZSA-N
MW347.38 g/mol
LogP4.97
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine

3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine (PubChem CID 20512447) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine
PubChem CID20512447
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine
SMILES[H]/N=C1\N(c2cccc(C(F)(F)F)c2)CC(C)N1c1c(C)cccc1C
InChIInChI=1S/C19H20F3N3/c1-12-6-4-7-13(2)17(12)25-14(3)11-24(18(25)23)16-9-5-8-15(10-16)19(20,21)22/h4-10,14,23H,11H2,1-3H3/b23-18+
InChIKeyQLIFXQXMQXHYRM-PTGBLXJZSA-N
XLogP4.97
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine?
The IUPAC name of 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine (CID 20512447) is 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine is [H]/N=C1\N(c2cccc(C(F)(F)F)c2)CC(C)N1c1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine?
The InChIKey is QLIFXQXMQXHYRM-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H20F3N3/c1-12-6-4-7-13(2)17(12)25-14(3)11-24(18(25)23)16-9-5-8-15(10-16)19(20,21)22/h4-10,14,23H,11H2,1-3H3/b23-18+.
What are the key properties of 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine?
3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine has a molecular weight of 347.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-imine is sourced from PubChem (CID 20512447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).