(4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione

C22H19N3O3 — CID 134864352

IUPAC(4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione
SMILESO=C1C2CC[C@@]3(N=CN(Cc4ccccc4)C3=O)C2C(=O)N1c1ccccc1
InChIInChI=1S/C22H19N3O3/c26-19-17-11-12-22(18(17)20(27)25(19)16-9-5-2-6-10-16)21(28)24(14-23-22)13-15-7-3-1-4-8-15/h1-10,14,17-18H,11-13H2/t17?,18?,22-/m1/s1
InChIKeyBLIPTRAEQPLRCH-RWWKDMOOSA-N
MW373.41 g/mol
LogP2.40
Rot. Bonds3

About (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione

(4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione (PubChem CID 134864352) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione.

Molecular Properties

Compound Name(4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione
PubChem CID134864352
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione
SMILESO=C1C2CC[C@@]3(N=CN(Cc4ccccc4)C3=O)C2C(=O)N1c1ccccc1
InChIInChI=1S/C22H19N3O3/c26-19-17-11-12-22(18(17)20(27)25(19)16-9-5-2-6-10-16)21(28)24(14-23-22)13-15-7-3-1-4-8-15/h1-10,14,17-18H,11-13H2/t17?,18?,22-/m1/s1
InChIKeyBLIPTRAEQPLRCH-RWWKDMOOSA-N
XLogP2.40
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione?
The IUPAC name of (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione (CID 134864352) is (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione.
What is the SMILES notation for (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione?
The canonical SMILES for (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione is O=C1C2CC[C@@]3(N=CN(Cc4ccccc4)C3=O)C2C(=O)N1c1ccccc1.
What is the InChIKey of (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione?
The InChIKey is BLIPTRAEQPLRCH-RWWKDMOOSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-19-17-11-12-22(18(17)20(27)25(19)16-9-5-2-6-10-16)21(28)24(14-23-22)13-15-7-3-1-4-8-15/h1-10,14,17-18H,11-13H2/t17?,18?,22-/m1/s1.
What are the key properties of (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione?
(4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione has a molecular weight of 373.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-benzyl-2-phenylspiro[3a,5,6,6a-tetrahydrocyclopenta[c]pyrrole-4,5'-imidazole]-1,3,4'-trione is sourced from PubChem (CID 134864352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).