[6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate

C23H19N5O4 — CID 91469283

About [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate

[6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate (PubChem CID 91469283) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
• PubChem CID: 91469283
• Molecular Formula: C23H19N5O4
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.14
• IUPAC Name: [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
• SMILES: CNC(=O)Oc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccncc3)cc2[nH]1
• InChI: InChI=1S/C23H19N5O4/c1-24-22(30)32-21-26-18-7-6-15(12-19(18)27-21)23(31)17-5-3-2-4-16(17)20(29)28(23)13-14-8-10-25-11-9-14/h2-12,31H,13H2,1H3,(H,24,30)(H,26,27)
• InChIKey: QHCNBCQBZATUCR-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?

The IUPAC name of [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate (CID 91469283) is [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate.

What is the SMILES notation for [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?

The canonical SMILES for [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate is CNC(=O)Oc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccncc3)cc2[nH]1.

What is the InChIKey of [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?

The InChIKey is QHCNBCQBZATUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-24-22(30)32-21-26-18-7-6-15(12-19(18)27-21)23(31)17-5-3-2-4-16(17)20(29)28(23)13-14-8-10-25-11-9-14/h2-12,31H,13H2,1H3,(H,24,30)(H,26,27).

What are the key properties of [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?

[6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate has a molecular weight of 429.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate is sourced from PubChem (CID 91469283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).