(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione

C25H20N4O2 — CID 135673737

IUPAC(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C25H20N4O2/c1-25(18-12-6-3-7-13-18)23(30)29(24(31)28-25)26-16-20-19-14-8-9-15-21(19)27-22(20)17-10-4-2-5-11-17/h2-16,27H,1H3,(H,28,31)/b26-16+/t25-/m1/s1
InChIKeyNKWRPOQQUAMUOX-HLHNIQGOSA-N
MW408.46 g/mol
LogP4.64
Rot. Bonds4

About (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione

(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 135673737) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
PubChem CID135673737
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C25H20N4O2/c1-25(18-12-6-3-7-13-18)23(30)29(24(31)28-25)26-16-20-19-14-8-9-15-21(19)27-22(20)17-10-4-2-5-11-17/h2-16,27H,1H3,(H,28,31)/b26-16+/t25-/m1/s1
InChIKeyNKWRPOQQUAMUOX-HLHNIQGOSA-N
XLogP4.64
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione (CID 135673737) is (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione is C[C@]1(c2ccccc2)NC(=O)N(/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)C1=O.
What is the InChIKey of (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is NKWRPOQQUAMUOX-HLHNIQGOSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-25(18-12-6-3-7-13-18)23(30)29(24(31)28-25)26-16-20-19-14-8-9-15-21(19)27-22(20)17-10-4-2-5-11-17/h2-16,27H,1H3,(H,28,31)/b26-16+/t25-/m1/s1.
What are the key properties of (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione?
(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 135673737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).