N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C24H18N4O3 — CID 5127236

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C24H18N4O3/c29-21-11-12-22(30)28(21)18-8-4-6-16(14-18)24(31)25-17-7-3-5-15(13-17)23-26-19-9-1-2-10-20(19)27-23/h1-10,13-14H,11-12H2,(H,25,31)(H,26,27)
InChIKeyQRHHHZXJDBWMNA-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.14
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 5127236) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID5127236
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C24H18N4O3/c29-21-11-12-22(30)28(21)18-8-4-6-16(14-18)24(31)25-17-7-3-5-15(13-17)23-26-19-9-1-2-10-20(19)27-23/h1-10,13-14H,11-12H2,(H,25,31)(H,26,27)
InChIKeyQRHHHZXJDBWMNA-UHFFFAOYSA-N
XLogP4.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 39952263
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 5127236) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is QRHHHZXJDBWMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-21-11-12-22(30)28(21)18-8-4-6-16(14-18)24(31)25-17-7-3-5-15(13-17)23-26-19-9-1-2-10-20(19)27-23/h1-10,13-14H,11-12H2,(H,25,31)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 410.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 5127236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).