1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

C20H19N3O2 — CID 3809738

IUPAC1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3nc4ccccc4n3C)C2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-13-7-9-14(10-8-13)11-15-12-18(24)23(19(15)25)20-21-16-5-3-4-6-17(16)22(20)2/h3-10,15H,11-12H2,1-2H3
InChIKeyMIKXVEHAXPENMN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.00
Rot. Bonds3

About 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 3809738) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID3809738
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3nc4ccccc4n3C)C2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-13-7-9-14(10-8-13)11-15-12-18(24)23(19(15)25)20-21-16-5-3-4-6-17(16)22(20)2/h3-10,15H,11-12H2,1-2H3
InChIKeyMIKXVEHAXPENMN-UHFFFAOYSA-N
XLogP3.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.00
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 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 3809738) is 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2CC(=O)N(c3nc4ccccc4n3C)C2=O)cc1.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is MIKXVEHAXPENMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-7-9-14(10-8-13)11-15-12-18(24)23(19(15)25)20-21-16-5-3-4-6-17(16)22(20)2/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3809738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).