[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate

C24H20N4O4 — CID 91240783

IUPAC[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccccc3C)cc2[nH]1
InChIInChI=1S/C24H20N4O4/c1-14-7-3-6-10-20(14)28-21(29)16-8-4-5-9-17(16)24(28,31)15-11-12-18-19(13-15)27-22(26-18)32-23(30)25-2/h3-13,31H,1-2H3,(H,25,30)(H,26,27)
InChIKeyRUJVYFQYTLBZCI-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.44
Rot. Bonds3

About [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate

[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate (PubChem CID 91240783) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
PubChem CID91240783
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccccc3C)cc2[nH]1
InChIInChI=1S/C24H20N4O4/c1-14-7-3-6-10-20(14)28-21(29)16-8-4-5-9-17(16)24(28,31)15-11-12-18-19(13-15)27-22(26-18)32-23(30)25-2/h3-13,31H,1-2H3,(H,25,30)(H,26,27)
InChIKeyRUJVYFQYTLBZCI-UHFFFAOYSA-N
XLogP3.44
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91469283
[6-[1-hydroxy-3-oxo-2-(pyridin-3-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91503435
[6-[2-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 91408812
[6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 67161180
[6-[2-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-[2-[benzyl(methyl)amino]ethyl]carbamate
CID 90985064
methyl N-[6-[2-(2-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
CID 11718982
[6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]-methylcarbamic acid
CID 67044446
methyl N-[6-[1-hydroxy-2-(3-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate;hydrochloride
CID 140521652
[6-[2-(2-fluoro-5-methoxyphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 67162395
methyl N-[6-[2-(3-bromo-2,5-difluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
CID 91597457
methyl N-[6-[2-(3-benzylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
CID 11511733
[6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 67353576

Frequently Asked Questions

What is the IUPAC name of [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?
The IUPAC name of [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate (CID 91240783) is [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate.
What is the SMILES notation for [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?
The canonical SMILES for [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate is CNC(=O)Oc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccccc3C)cc2[nH]1.
What is the InChIKey of [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?
The InChIKey is RUJVYFQYTLBZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-14-7-3-6-10-20(14)28-21(29)16-8-4-5-9-17(16)24(28,31)15-11-12-18-19(13-15)27-22(26-18)32-23(30)25-2/h3-13,31H,1-2H3,(H,25,30)(H,26,27).
What are the key properties of [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate?
[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate has a molecular weight of 428.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate is sourced from PubChem (CID 91240783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).