5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride

C24H21ClF3N3O3 — CID 159553709

IUPAC5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1(C)C(=O)N(c2ccnc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Oc1ccccc1.Cl
InChIInChI=1S/C24H20F3N3O3.ClH/c1-23(2)21(31)30(17-12-13-28-20(14-17)24(25,26)27)22(32)29(23)15-16-8-6-7-11-19(16)33-18-9-4-3-5-10-18;/h3-14H,15H2,1-2H3;1H
InChIKeyKKZLSBCGKUZROG-UHFFFAOYSA-N
MW491.90 g/mol
LogP6.06
Rot. Bonds5

About 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride

5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 159553709) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID159553709
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1(C)C(=O)N(c2ccnc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Oc1ccccc1.Cl
InChIInChI=1S/C24H20F3N3O3.ClH/c1-23(2)21(31)30(17-12-13-28-20(14-17)24(25,26)27)22(32)29(23)15-16-8-6-7-11-19(16)33-18-9-4-3-5-10-18;/h3-14H,15H2,1-2H3;1H
InChIKeyKKZLSBCGKUZROG-UHFFFAOYSA-N
XLogP6.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.90
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride (CID 159553709) is 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride is CC1(C)C(=O)N(c2ccnc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Oc1ccccc1.Cl.
What is the InChIKey of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is KKZLSBCGKUZROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3.ClH/c1-23(2)21(31)30(17-12-13-28-20(14-17)24(25,26)27)22(32)29(23)15-16-8-6-7-11-19(16)33-18-9-4-3-5-10-18;/h3-14H,15H2,1-2H3;1H.
What are the key properties of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride?
5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 491.90 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 159553709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).