2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide

C16H18FN5O3 — CID 70784686

About 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide (PubChem CID 70784686) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
• PubChem CID: 70784686
• Molecular Formula: C16H18FN5O3
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.14
• IUPAC Name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
• SMILES: CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC1C(=O)N(C)C(=O)N1C
• InChI: InChI=1S/C16H18FN5O3/c1-20(8-13-18-10-5-4-9(17)6-11(10)19-13)14(23)7-12-15(24)22(3)16(25)21(12)2/h4-6,12H,7-8H2,1-3H3,(H,18,19)
• InChIKey: QUKVHLZKWVJWPA-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

The IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide (CID 70784686) is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide.

What is the SMILES notation for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

The canonical SMILES for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide is CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC1C(=O)N(C)C(=O)N1C.

What is the InChIKey of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

The InChIKey is QUKVHLZKWVJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-20(8-13-18-10-5-4-9(17)6-11(10)19-13)14(23)7-12-15(24)22(3)16(25)21(12)2/h4-6,12H,7-8H2,1-3H3,(H,18,19).

What are the key properties of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide has a molecular weight of 347.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 70784686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).