(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C23H23N3O3 — CID 95627431

IUPAC(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCOc1c(C)cnc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C
InChIInChI=1S/C23H23N3O3/c1-14-12-24-19(15(2)20(14)29-4)13-26-21(27)23(3,25-22(26)28)18-11-7-9-16-8-5-6-10-17(16)18/h5-12H,13H2,1-4H3,(H,25,28)/t23-/m0/s1
InChIKeyWSAHUYAFPMVZDT-QHCPKHFHSA-N
MW389.46 g/mol
LogP3.83
Rot. Bonds4

About (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 95627431) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID95627431
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCOc1c(C)cnc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C
InChIInChI=1S/C23H23N3O3/c1-14-12-24-19(15(2)20(14)29-4)13-26-21(27)23(3,25-22(26)28)18-11-7-9-16-8-5-6-10-17(16)18/h5-12H,13H2,1-4H3,(H,25,28)/t23-/m0/s1
InChIKeyWSAHUYAFPMVZDT-QHCPKHFHSA-N
XLogP3.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.83
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

(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40811680
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 78766969
5-methyl-5-naphthalen-1-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674242
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242865
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 49466355
5-methyl-5-naphthalen-1-yl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 51293723
3-[(2,2-dichlorocyclopropyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43022994
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
N-[(3-methoxyphenyl)methyl]-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242813

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 95627431) is (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is COc1c(C)cnc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C.
What is the InChIKey of (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is WSAHUYAFPMVZDT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-12-24-19(15(2)20(14)29-4)13-26-21(27)23(3,25-22(26)28)18-11-7-9-16-8-5-6-10-17(16)18/h5-12H,13H2,1-4H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95627431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).