5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C16H13F3N4O3 — CID 166222460

IUPAC5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ncccn2)C1=O
InChIInChI=1S/C16H13F3N4O3/c1-15(10-3-5-11(6-4-10)26-16(17,18)19)13(24)23(14(25)22-15)9-12-20-7-2-8-21-12/h2-8H,9H2,1H3,(H,22,25)
InChIKeyHJUVNZMSMHPMRI-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.34
Rot. Bonds4

About 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 166222460) has the molecular formula C16H13F3N4O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID166222460
Molecular FormulaC16H13F3N4O3
Molecular Weight366.30 g/mol
Exact Mass366.09
IUPAC Name5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ncccn2)C1=O
InChIInChI=1S/C16H13F3N4O3/c1-15(10-3-5-11(6-4-10)26-16(17,18)19)13(24)23(14(25)22-15)9-12-20-7-2-8-21-12/h2-8H,9H2,1H3,(H,22,25)
InChIKeyHJUVNZMSMHPMRI-UHFFFAOYSA-N
XLogP2.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
5-methyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 86901157
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 46642460
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 42964296
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41167122
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18279030
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetamide
CID 52516692
5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 60524357
ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 52909884
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 166222460) is 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is CC1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ncccn2)C1=O.
What is the InChIKey of 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is HJUVNZMSMHPMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3/c1-15(10-3-5-11(6-4-10)26-16(17,18)19)13(24)23(14(25)22-15)9-12-20-7-2-8-21-12/h2-8H,9H2,1H3,(H,22,25).
What are the key properties of 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 366.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166222460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).