methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate

C23H20N2O4 — CID 41135174

IUPACmethyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C23H20N2O4/c1-23(19-11-10-16-7-3-4-8-17(16)13-19)21(27)25(22(28)24-23)14-15-6-5-9-18(12-15)20(26)29-2/h3-13H,14H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKeyBOXKBVPRIHKORN-QHCPKHFHSA-N
MW388.42 g/mol
LogP3.59
Rot. Bonds4

About methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate

methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate (PubChem CID 41135174) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
PubChem CID41135174
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C23H20N2O4/c1-23(19-11-10-16-7-3-4-8-17(16)13-19)21(27)25(22(28)24-23)14-15-6-5-9-18(12-15)20(26)29-2/h3-13H,14H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKeyBOXKBVPRIHKORN-QHCPKHFHSA-N
XLogP3.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 55631250
methyl 4-[[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 47092890
methyl 4-[[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]methyl]benzoate
CID 7595709
5-methyl-5-naphthalen-2-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674252
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 55600305
methyl 3-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 25387050
3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
CID 40943642
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate (CID 41135174) is methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate is COC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1.
What is the InChIKey of methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The InChIKey is BOXKBVPRIHKORN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-23(19-11-10-16-7-3-4-8-17(16)13-19)21(27)25(22(28)24-23)14-15-6-5-9-18(12-15)20(26)29-2/h3-13H,14H2,1-2H3,(H,24,28)/t23-/m0/s1.
What are the key properties of methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 41135174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).