4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide

C25H19FN4O4 — CID 154589282

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)[nH]c12
InChIInChI=1S/C25H19FN4O4/c1-34-19-11-10-18(14-2-6-16(26)7-3-14)22-23(19)28-25(27-22)29-24(33)15-4-8-17(9-5-15)30-20(31)12-13-21(30)32/h2-11H,12-13H2,1H3,(H2,27,28,29,33)
InChIKeySCVIOUXIJBBQKR-UHFFFAOYSA-N
MW458.45 g/mol
LogP4.28
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide (PubChem CID 154589282) has the molecular formula C25H19FN4O4 and a molecular weight of 458.45 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide
PubChem CID154589282
Molecular FormulaC25H19FN4O4
Molecular Weight458.45 g/mol
Exact Mass458.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)[nH]c12
InChIInChI=1S/C25H19FN4O4/c1-34-19-11-10-18(14-2-6-16(26)7-3-14)22-23(19)28-25(27-22)29-24(33)15-4-8-17(9-5-15)30-20(31)12-13-21(30)32/h2-11H,12-13H2,1H3,(H2,27,28,29,33)
InChIKeySCVIOUXIJBBQKR-UHFFFAOYSA-N
XLogP4.28
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.28
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

4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
CID 154973261
N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]pyridine-4-carboxamide
CID 175795176
N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 154589244
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462534
N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154589239
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4581402
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 16557500
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204262
5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide
CID 155269525

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide (CID 154589282) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide is COc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)[nH]c12.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide?
The InChIKey is SCVIOUXIJBBQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O4/c1-34-19-11-10-18(14-2-6-16(26)7-3-14)22-23(19)28-25(27-22)29-24(33)15-4-8-17(9-5-15)30-20(31)12-13-21(30)32/h2-11H,12-13H2,1H3,(H2,27,28,29,33).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide has a molecular weight of 458.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 154589282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).