2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide

About 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide

2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide (PubChem CID 45174442) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name	2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
PubChem CID	45174442
Molecular Formula	C25H27F2N5O3
Molecular Weight	483.52 g/mol
Exact Mass	483.21
IUPAC Name	2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
SMILES	CN(C)CCN1C(=O)CC(CC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)(c2ccccc2F)C1=O
InChI	InChI=1S/C25H27F2N5O3/c1-30(2)10-11-32-23(34)14-25(24(32)35,17-6-4-5-7-18(17)27)13-22(33)31(3)15-21-28-19-9-8-16(26)12-20(19)29-21/h4-9,12H,10-11,13-15H2,1-3H3,(H,28,29)
InChIKey	PHMZRJAVICTIRZ-UHFFFAOYSA-N
XLogP	2.45
TPSA	89.61 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide (CID 45174442) is 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide.

What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide is CN(C)CCN1C(=O)CC(CC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)(c2ccccc2F)C1=O.

What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

The InChIKey is PHMZRJAVICTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-30(2)10-11-32-23(34)14-25(24(32)35,17-6-4-5-7-18(17)27)13-22(33)31(3)15-21-28-19-9-8-16(26)12-20(19)29-21/h4-9,12H,10-11,13-15H2,1-3H3,(H,28,29).

What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide has a molecular weight of 483.52 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 45174442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).