(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

C22H24F3N5O3 — CID 92786687

IUPAC(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)c1
InChIInChI=1S/C22H24F3N5O3/c1-21(15-4-3-5-17(12-15)33-2)19(31)30(20(32)27-21)14-28-8-10-29(11-9-28)18-7-6-16(13-26-18)22(23,24)25/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyVEIHRRWZYGYOME-OAQYLSRUSA-N
MW463.46 g/mol
LogP2.66
Rot. Bonds5

About (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 92786687) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID92786687
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)c1
InChIInChI=1S/C22H24F3N5O3/c1-21(15-4-3-5-17(12-15)33-2)19(31)30(20(32)27-21)14-28-8-10-29(11-9-28)18-7-6-16(13-26-18)22(23,24)25/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyVEIHRRWZYGYOME-OAQYLSRUSA-N
XLogP2.66
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 39771345
3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
N-[(4-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522768
1-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 2810008
1-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzo[cd]indol-2-one
CID 9170740
3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 167839820
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 31377197
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 92786687) is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is COc1cccc([C@@]2(C)NC(=O)N(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)c1.
What is the InChIKey of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is VEIHRRWZYGYOME-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c1-21(15-4-3-5-17(12-15)33-2)19(31)30(20(32)27-21)14-28-8-10-29(11-9-28)18-7-6-16(13-26-18)22(23,24)25/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,32)/t21-/m1/s1.
What are the key properties of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 463.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92786687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).