(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione

C15H12ClN3O2 — CID 107432743

IUPAC(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc(N2C(=O)N[C@H](c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-4-2-1-3-11(12)13-14(20)19(15(21)18-13)10-7-5-9(17)6-8-10/h1-8,13H,17H2,(H,18,21)/t13-/m1/s1
InChIKeyKGYFGVJYAXUOIM-CYBMUJFWSA-N
MW301.73 g/mol
LogP2.72
Rot. Bonds2

About (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione

(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 107432743) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione
PubChem CID107432743
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc(N2C(=O)N[C@H](c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-4-2-1-3-11(12)13-14(20)19(15(21)18-13)10-7-5-9(17)6-8-10/h1-8,13H,17H2,(H,18,21)/t13-/m1/s1
InChIKeyKGYFGVJYAXUOIM-CYBMUJFWSA-N
XLogP2.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione (CID 107432743) is (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione is Nc1ccc(N2C(=O)N[C@H](c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is KGYFGVJYAXUOIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-4-2-1-3-11(12)13-14(20)19(15(21)18-13)10-7-5-9(17)6-8-10/h1-8,13H,17H2,(H,18,21)/t13-/m1/s1.
What are the key properties of (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione?
(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 301.73 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107432743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).