(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione

C22H20N4O3 — CID 134864137

IUPAC(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione
SMILESO=C1[C@@H]2C[C@]3(CN2C(=O)N1Cc1ccccc1)N=CN(Cc1ccccc1)C3=O
InChIInChI=1S/C22H20N4O3/c27-19-18-11-22(20(28)24(15-23-22)12-16-7-3-1-4-8-16)14-26(18)21(29)25(19)13-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t18-,22+/m0/s1
InChIKeyWKBABRWFPWBFBB-PGRDOPGGSA-N
MW388.43 g/mol
LogP2.03
Rot. Bonds4

About (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione

(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione (PubChem CID 134864137) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione.

Molecular Properties

Compound Name(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione
PubChem CID134864137
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione
SMILESO=C1[C@@H]2C[C@]3(CN2C(=O)N1Cc1ccccc1)N=CN(Cc1ccccc1)C3=O
InChIInChI=1S/C22H20N4O3/c27-19-18-11-22(20(28)24(15-23-22)12-16-7-3-1-4-8-16)14-26(18)21(29)25(19)13-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t18-,22+/m0/s1
InChIKeyWKBABRWFPWBFBB-PGRDOPGGSA-N
XLogP2.03
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione?
The IUPAC name of (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione (CID 134864137) is (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione.
What is the SMILES notation for (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione?
The canonical SMILES for (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione is O=C1[C@@H]2C[C@]3(CN2C(=O)N1Cc1ccccc1)N=CN(Cc1ccccc1)C3=O.
What is the InChIKey of (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione?
The InChIKey is WKBABRWFPWBFBB-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-19-18-11-22(20(28)24(15-23-22)12-16-7-3-1-4-8-16)14-26(18)21(29)25(19)13-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t18-,22+/m0/s1.
What are the key properties of (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione?
(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione has a molecular weight of 388.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione is sourced from PubChem (CID 134864137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).