(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

C19H19N3O5 — CID 7566120

IUPAC(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H19N3O5/c1-19(11-14-5-3-4-6-16(14)27-2)17(23)21(18(24)20-19)12-13-7-9-15(10-8-13)22(25)26/h3-10H,11-12H2,1-2H3,(H,20,24)/t19-/m0/s1
InChIKeySCNSCDBFDBGYKS-IBGZPJMESA-N
MW369.38 g/mol
LogP2.66
Rot. Bonds6

About (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7566120) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID7566120
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H19N3O5/c1-19(11-14-5-3-4-6-16(14)27-2)17(23)21(18(24)20-19)12-13-7-9-15(10-8-13)22(25)26/h3-10H,11-12H2,1-2H3,(H,20,24)/t19-/m0/s1
InChIKeySCNSCDBFDBGYKS-IBGZPJMESA-N
XLogP2.66
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.66
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

methyl 4-[[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566179
methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566172
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 8659250
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565766
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17391164
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 71915407
(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7565514
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 7566120) is (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is COc1ccccc1C[C@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is SCNSCDBFDBGYKS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N3O5/c1-19(11-14-5-3-4-6-16(14)27-2)17(23)21(18(24)20-19)12-13-7-9-15(10-8-13)22(25)26/h3-10H,11-12H2,1-2H3,(H,20,24)/t19-/m0/s1.
What are the key properties of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7566120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).