(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

C18H14ClN3O5 — CID 40895044

IUPAC(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H14ClN3O5/c1-18(12-4-8-14(9-5-12)22(26)27)16(24)21(17(25)20-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,20,25)/t18-/m1/s1
InChIKeyIQTNOUSGOUMBGO-GOSISDBHSA-N
MW387.78 g/mol
LogP2.90
Rot. Bonds5

About (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 40895044) has the molecular formula C18H14ClN3O5 and a molecular weight of 387.78 g/mol. Its IUPAC name is (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID40895044
Molecular FormulaC18H14ClN3O5
Molecular Weight387.78 g/mol
Exact Mass387.06
IUPAC Name(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H14ClN3O5/c1-18(12-4-8-14(9-5-12)22(26)27)16(24)21(17(25)20-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,20,25)/t18-/m1/s1
InChIKeyIQTNOUSGOUMBGO-GOSISDBHSA-N
XLogP2.90
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 52.90
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'}

Analyze (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180183
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
5,5-dimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623134
N-[4-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 4814138
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 18074722
(5S)-3-[(2,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180278
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (CID 40895044) is (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is IQTNOUSGOUMBGO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14ClN3O5/c1-18(12-4-8-14(9-5-12)22(26)27)16(24)21(17(25)20-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,20,25)/t18-/m1/s1.
What are the key properties of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 387.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40895044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).