[6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid

C23H15ClF2N4O4 — CID 67163421

About [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid

[6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 67163421) has the molecular formula C23H15ClF2N4O4 and a molecular weight of 484.85 g/mol. Its IUPAC name is [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
• PubChem CID: 67163421
• Molecular Formula: C23H15ClF2N4O4
• Molecular Weight: 484.85 g/mol
• Exact Mass: 484.07
• IUPAC Name: [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
• SMILES: Cc1ccc(Cl)cc1N1C(=O)c2c(F)ccc(F)c2C1(O)c1ccc2nc(NC(=O)O)[nH]c2c1
• InChI: InChI=1S/C23H15ClF2N4O4/c1-10-2-4-12(24)9-17(10)30-20(31)18-13(25)5-6-14(26)19(18)23(30,34)11-3-7-15-16(8-11)28-21(27-15)29-22(32)33/h2-9,34H,1H3,(H,32,33)(H2,27,28,29)
• InChIKey: IWOPVWCTMPTUDZ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 118.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.85
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

The IUPAC name of [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (CID 67163421) is [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.

What is the SMILES notation for [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

The canonical SMILES for [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is Cc1ccc(Cl)cc1N1C(=O)c2c(F)ccc(F)c2C1(O)c1ccc2nc(NC(=O)O)[nH]c2c1.

What is the InChIKey of [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

The InChIKey is IWOPVWCTMPTUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N4O4/c1-10-2-4-12(24)9-17(10)30-20(31)18-13(25)5-6-14(26)19(18)23(30,34)11-3-7-15-16(8-11)28-21(27-15)29-22(32)33/h2-9,34H,1H3,(H,32,33)(H2,27,28,29).

What are the key properties of [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

[6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 484.85 g/mol, XLogP of 4.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(5-chloro-2-methylphenyl)-4,7-difluoro-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 67163421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).