3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C22H22F3N3O2 — CID 56509621

IUPAC3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCc1cccc(CN(CN2C(=O)NC(c3ccccc3)(C(F)(F)F)C2=O)C2CC2)c1
InChIInChI=1S/C22H22F3N3O2/c1-15-6-5-7-16(12-15)13-27(18-10-11-18)14-28-19(29)21(22(23,24)25,26-20(28)30)17-8-3-2-4-9-17/h2-9,12,18H,10-11,13-14H2,1H3,(H,26,30)
InChIKeyAVAQCJZIABQOEL-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.93
Rot. Bonds6

About 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 56509621) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID56509621
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCc1cccc(CN(CN2C(=O)NC(c3ccccc3)(C(F)(F)F)C2=O)C2CC2)c1
InChIInChI=1S/C22H22F3N3O2/c1-15-6-5-7-16(12-15)13-27(18-10-11-18)14-28-19(29)21(22(23,24)25,26-20(28)30)17-8-3-2-4-9-17/h2-9,12,18H,10-11,13-14H2,1H3,(H,26,30)
InChIKeyAVAQCJZIABQOEL-UHFFFAOYSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 56509621) is 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is Cc1cccc(CN(CN2C(=O)NC(c3ccccc3)(C(F)(F)F)C2=O)C2CC2)c1.
What is the InChIKey of 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is AVAQCJZIABQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-15-6-5-7-16(12-15)13-27(18-10-11-18)14-28-19(29)21(22(23,24)25,26-20(28)30)17-8-3-2-4-9-17/h2-9,12,18H,10-11,13-14H2,1H3,(H,26,30).
What are the key properties of 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 417.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56509621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).