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'}

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Related Compounds

3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 16584249
(3S)-1-(4-acetylphenyl)-3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrolidine-2,5-dione
CID 26182928
N-[4-[3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 17121692
1-(4-hexoxyphenyl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
CID 44724758
(3R)-3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51524222
(3R)-3-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98051555
3-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 16584195
3-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 16584196
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
CID 95391546
2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one;hydrochloride
CID 163329574
1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833657

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).