(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione

C18H21N3O3S — CID 9318746

IUPAC(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(CN(C)Cc3ccsc3)C2=O)c1
InChIInChI=1S/C18H21N3O3S/c1-18(14-5-4-6-15(9-14)24-3)16(22)21(17(23)19-18)12-20(2)10-13-7-8-25-11-13/h4-9,11H,10,12H2,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyWNQWCUOYYYVABD-GOSISDBHSA-N
MW359.45 g/mol
LogP2.61
Rot. Bonds6

About (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione (PubChem CID 9318746) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione
PubChem CID9318746
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(CN(C)Cc3ccsc3)C2=O)c1
InChIInChI=1S/C18H21N3O3S/c1-18(14-5-4-6-15(9-14)24-3)16(22)21(17(23)19-18)12-20(2)10-13-7-8-25-11-13/h4-9,11H,10,12H2,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyWNQWCUOYYYVABD-GOSISDBHSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.61
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

(5S)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9318878
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 9321888
N-cyclopropyl-2-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]acetamide
CID 9286027
3-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
(5S)-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9171445
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide
CID 56501849
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285682
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione (CID 9318746) is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione is COc1cccc([C@@]2(C)NC(=O)N(CN(C)Cc3ccsc3)C2=O)c1.
What is the InChIKey of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione?
The InChIKey is WNQWCUOYYYVABD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-18(14-5-4-6-15(9-14)24-3)16(22)21(17(23)19-18)12-20(2)10-13-7-8-25-11-13/h4-9,11H,10,12H2,1-3H3,(H,19,23)/t18-/m1/s1.
What are the key properties of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione?
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione has a molecular weight of 359.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9318746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).