(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

C26H28N4O2 — CID 30629728

IUPAC(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C26H28N4O2/c1-26(22-11-3-2-4-12-22)24(31)30(25(32)27-26)19-29-16-14-28(15-17-29)18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13H,14-19H2,1H3,(H,27,32)/t26-/m0/s1
InChIKeyAJSBHIOHEIHDTC-SANMLTNESA-N
MW428.54 g/mol
LogP3.38
Rot. Bonds5

About (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 30629728) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID30629728
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C26H28N4O2/c1-26(22-11-3-2-4-12-22)24(31)30(25(32)27-26)19-29-16-14-28(15-17-29)18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13H,14-19H2,1H3,(H,27,32)/t26-/m0/s1
InChIKeyAJSBHIOHEIHDTC-SANMLTNESA-N
XLogP3.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.38
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-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 22109253
(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30961017
(5R)-5-methyl-5-naphthalen-1-yl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9403666
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 75884137
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
3-(naphthalen-1-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 7916945
(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 39771345
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 31132785

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 30629728) is (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is AJSBHIOHEIHDTC-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O2/c1-26(22-11-3-2-4-12-22)24(31)30(25(32)27-26)19-29-16-14-28(15-17-29)18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13H,14-19H2,1H3,(H,27,32)/t26-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 428.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 30629728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).