(5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione

C22H19N3O5 — CID 51951175

IUPAC(5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C22H19N3O5/c1-22(19-11-4-7-15-6-2-3-10-18(15)19)20(26)24(21(27)23-22)12-13-30-17-9-5-8-16(14-17)25(28)29/h2-11,14H,12-13H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyGXKHOOQZUDZLNA-QFIPXVFZSA-N
MW405.41 g/mol
LogP3.59
Rot. Bonds6

About (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 51951175) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID51951175
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name(5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C22H19N3O5/c1-22(19-11-4-7-15-6-2-3-10-18(15)19)20(26)24(21(27)23-22)12-13-30-17-9-5-8-16(14-17)25(28)29/h2-11,14H,12-13H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyGXKHOOQZUDZLNA-QFIPXVFZSA-N
XLogP3.59
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-5-naphthalen-1-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674242
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 17395982
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631
3-[3-(3-nitrophenoxy)propyl]quinazolin-4-one
CID 2995196
(5R)-5-(2-chlorophenyl)-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 40745064
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
(5R)-5-methyl-5-naphthalen-1-yl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9403666
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione (CID 51951175) is (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione is C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is GXKHOOQZUDZLNA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-22(19-11-4-7-15-6-2-3-10-18(15)19)20(26)24(21(27)23-22)12-13-30-17-9-5-8-16(14-17)25(28)29/h2-11,14H,12-13H2,1H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 405.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-naphthalen-1-yl-3-[2-(3-nitrophenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51951175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).