(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione

C25H21N3O2 — CID 27105753

IUPAC(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H21N3O2/c29-23-16-20(15-18-9-3-1-4-10-18)24(30)28(23)25-26-21-13-7-8-14-22(21)27(25)17-19-11-5-2-6-12-19/h1-14,20H,15-17H2/t20-/m0/s1
InChIKeyNZVYQLDWBGVXIQ-FQEVSTJZSA-N
MW395.46 g/mol
LogP4.21
Rot. Bonds5

About (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione

(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 27105753) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione
PubChem CID27105753
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H21N3O2/c29-23-16-20(15-18-9-3-1-4-10-18)24(30)28(23)25-26-21-13-7-8-14-22(21)27(25)17-19-11-5-2-6-12-19/h1-14,20H,15-17H2/t20-/m0/s1
InChIKeyNZVYQLDWBGVXIQ-FQEVSTJZSA-N
XLogP4.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-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

(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 744203
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
(3S)-1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
CID 1079268
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione (CID 27105753) is (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione is O=C1C[C@H](Cc2ccccc2)C(=O)N1c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is NZVYQLDWBGVXIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-23-16-20(15-18-9-3-1-4-10-18)24(30)28(23)25-26-21-13-7-8-14-22(21)27(25)17-19-11-5-2-6-12-19/h1-14,20H,15-17H2/t20-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione?
(3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 395.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-(1-benzylbenzimidazol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 27105753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).