3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione

C21H17N5O3 — CID 17121690

IUPAC3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C21H17N5O3/c1-12-18(14-11-17(27)25(19(14)28)13-7-3-2-4-8-13)20(29)26(24-12)21-22-15-9-5-6-10-16(15)23-21/h2-10,14,24H,11H2,1H3,(H,22,23)
InChIKeyNNAMXOLCHLRGPX-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.40
Rot. Bonds3

About 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione

3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 17121690) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID17121690
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C21H17N5O3/c1-12-18(14-11-17(27)25(19(14)28)13-7-3-2-4-8-13)20(29)26(24-12)21-22-15-9-5-6-10-16(15)23-21/h2-10,14,24H,11H2,1H3,(H,22,23)
InChIKeyNNAMXOLCHLRGPX-UHFFFAOYSA-N
XLogP2.40
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione (CID 17121690) is 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione is Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is NNAMXOLCHLRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-12-18(14-11-17(27)25(19(14)28)13-7-3-2-4-8-13)20(29)26(24-12)21-22-15-9-5-6-10-16(15)23-21/h2-10,14,24H,11H2,1H3,(H,22,23).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione?
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 387.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 17121690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).