6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C20H19BrFN5O3S — CID 166341405

About 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 166341405) has the molecular formula C20H19BrFN5O3S and a molecular weight of 508.37 g/mol. Its IUPAC name is 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

• Compound Name: 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
• PubChem CID: 166341405
• Molecular Formula: C20H19BrFN5O3S
• Molecular Weight: 508.37 g/mol
• Exact Mass: 507.04
• IUPAC Name: 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
• SMILES: Cn1ccnc1C(NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1F
• InChI: InChI=1S/C20H19BrFN5O3S/c1-25-9-8-23-19(25)18(12-6-4-5-7-14(12)22)24-31(29,30)17-11-16-15(10-13(17)21)26(2)20(28)27(16)3/h4-11,18,24H,1-3H3
• InChIKey: ZWXMFKXPLVYDLM-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 90.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.37
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?

The IUPAC name of 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 166341405) is 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

What is the SMILES notation for 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?

The canonical SMILES for 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1ccnc1C(NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1F.

What is the InChIKey of 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?

The InChIKey is ZWXMFKXPLVYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN5O3S/c1-25-9-8-23-19(25)18(12-6-4-5-7-14(12)22)24-31(29,30)17-11-16-15(10-13(17)21)26(2)20(28)27(16)3/h4-11,18,24H,1-3H3.

What are the key properties of 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?

6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 508.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 166341405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).