methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride

C24H21ClN4O4 — CID 140521652

About methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride

methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride (PubChem CID 140521652) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride
• PubChem CID: 140521652
• Molecular Formula: C24H21ClN4O4
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.13
• IUPAC Name: methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride
• SMILES: COC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(C)c3)cc2[nH]1.Cl
• InChI: InChI=1S/C24H20N4O4.ClH/c1-14-6-5-7-16(12-14)28-21(29)17-8-3-4-9-18(17)24(28,31)15-10-11-19-20(13-15)26-22(25-19)27-23(30)32-2;/h3-13,31H,1-2H3,(H2,25,26,27,30);1H
• InChIKey: JHWFJIDKWJNYDH-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride?

The IUPAC name of methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride (CID 140521652) is methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride.

What is the SMILES notation for methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride?

The canonical SMILES for methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride is COC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(C)c3)cc2[nH]1.Cl.

What is the InChIKey of methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride?

The InChIKey is JHWFJIDKWJNYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4.ClH/c1-14-6-5-7-16(12-14)28-21(29)17-8-3-4-9-18(17)24(28,31)15-10-11-19-20(13-15)26-22(25-19)27-23(30)32-2;/h3-13,31H,1-2H3,(H2,25,26,27,30);1H.

What are the key properties of methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride?

methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride has a molecular weight of 464.91 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 140521652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).