(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

C27H27F3N4O2 — CID 39771345

IUPAC(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C27H27F3N4O2/c1-26(22-10-9-20-6-2-3-7-21(20)16-22)24(35)34(25(36)31-26)18-33-13-11-32(12-14-33)17-19-5-4-8-23(15-19)27(28,29)30/h2-10,15-16H,11-14,17-18H2,1H3,(H,31,36)/t26-/m0/s1
InChIKeyNAAJHCFIRHTCRZ-SANMLTNESA-N
MW496.53 g/mol
LogP4.40
Rot. Bonds5

About (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 39771345) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID39771345
Molecular FormulaC27H27F3N4O2
Molecular Weight496.53 g/mol
Exact Mass496.21
IUPAC Name(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C27H27F3N4O2/c1-26(22-10-9-20-6-2-3-7-21(20)16-22)24(35)34(25(36)31-26)18-33-13-11-32(12-14-33)17-19-5-4-8-23(15-19)27(28,29)30/h2-10,15-16H,11-14,17-18H2,1H3,(H,31,36)/t26-/m0/s1
InChIKeyNAAJHCFIRHTCRZ-SANMLTNESA-N
XLogP4.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 46516528
3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42911362
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
(5R)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056016
(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056015
(5R)-5-methyl-3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 51725456
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 92786687
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 22109253
methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 41135174
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784
1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029286

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 39771345) is (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is NAAJHCFIRHTCRZ-SANMLTNESA-N. The full InChI is InChI=1S/C27H27F3N4O2/c1-26(22-10-9-20-6-2-3-7-21(20)16-22)24(35)34(25(36)31-26)18-33-13-11-32(12-14-33)17-19-5-4-8-23(15-19)27(28,29)30/h2-10,15-16H,11-14,17-18H2,1H3,(H,31,36)/t26-/m0/s1.
What are the key properties of (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 496.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 39771345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).