[6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid

C23H17FN4O5 — CID 67162395

About [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid

[6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 67162395) has the molecular formula C23H17FN4O5 and a molecular weight of 448.41 g/mol. Its IUPAC name is [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
• PubChem CID: 67162395
• Molecular Formula: C23H17FN4O5
• Molecular Weight: 448.41 g/mol
• Exact Mass: 448.12
• IUPAC Name: [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
• SMILES: COc1ccc(F)c(N2C(=O)c3ccccc3C2(O)c2ccc3nc(NC(=O)O)[nH]c3c2)c1
• InChI: InChI=1S/C23H17FN4O5/c1-33-13-7-8-16(24)19(11-13)28-20(29)14-4-2-3-5-15(14)23(28,32)12-6-9-17-18(10-12)26-21(25-17)27-22(30)31/h2-11,32H,1H3,(H,30,31)(H2,25,26,27)
• InChIKey: MGFCINJJKWZHRS-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 127.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.41
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

The IUPAC name of [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (CID 67162395) is [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.

What is the SMILES notation for [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

The canonical SMILES for [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is COc1ccc(F)c(N2C(=O)c3ccccc3C2(O)c2ccc3nc(NC(=O)O)[nH]c3c2)c1.

What is the InChIKey of [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

The InChIKey is MGFCINJJKWZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O5/c1-33-13-7-8-16(24)19(11-13)28-20(29)14-4-2-3-5-15(14)23(28,32)12-6-9-17-18(10-12)26-21(25-17)27-22(30)31/h2-11,32H,1H3,(H,30,31)(H2,25,26,27).

What are the key properties of [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?

[6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 448.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 67162395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).