(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

C22H19ClN2O3 — CID 8001244

IUPAC(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccccc4Cl)C3=O)ccc2c1
InChIInChI=1S/C22H19ClN2O3/c1-22(17-9-7-15-12-18(28-2)10-8-14(15)11-17)20(26)25(21(27)24-22)13-16-5-3-4-6-19(16)23/h3-12H,13H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyZNMNEDFMWZTLLK-QFIPXVFZSA-N
MW394.86 g/mol
LogP4.47
Rot. Bonds4

About (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 8001244) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID8001244
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccccc4Cl)C3=O)ccc2c1
InChIInChI=1S/C22H19ClN2O3/c1-22(17-9-7-15-12-18(28-2)10-8-14(15)11-17)20(26)25(21(27)24-22)13-16-5-3-4-6-19(16)23/h3-12H,13H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyZNMNEDFMWZTLLK-QFIPXVFZSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4877059
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2562741
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8943293
3-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42982762
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 41157193
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 8762131
5-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3689298
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720
3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 45354786

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (CID 8001244) is (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccccc4Cl)C3=O)ccc2c1.
What is the InChIKey of (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ZNMNEDFMWZTLLK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-22(17-9-7-15-12-18(28-2)10-8-14(15)11-17)20(26)25(21(27)24-22)13-16-5-3-4-6-19(16)23/h3-12H,13H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 394.86 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8001244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).