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

C24H20N4O4 — CID 67161180

IUPAC[6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
SMILESCc1ccc(C)c(N2C(=O)c3ccccc3C2(O)c2ccc3nc(NC(=O)O)[nH]c3c2)c1
InChIInChI=1S/C24H20N4O4/c1-13-7-8-14(2)20(11-13)28-21(29)16-5-3-4-6-17(16)24(28,32)15-9-10-18-19(12-15)26-22(25-18)27-23(30)31/h3-12,32H,1-2H3,(H,30,31)(H2,25,26,27)
InChIKeyRIQXCYZCWWQNTN-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.12
Rot. Bonds3

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

[6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 67161180) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
PubChem CID67161180
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name[6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
SMILESCc1ccc(C)c(N2C(=O)c3ccccc3C2(O)c2ccc3nc(NC(=O)O)[nH]c3c2)c1
InChIInChI=1S/C24H20N4O4/c1-13-7-8-14(2)20(11-13)28-21(29)16-5-3-4-6-17(16)24(28,32)15-9-10-18-19(12-15)26-22(25-18)27-23(30)31/h3-12,32H,1-2H3,(H,30,31)(H2,25,26,27)
InChIKeyRIQXCYZCWWQNTN-UHFFFAOYSA-N
XLogP4.12
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
The IUPAC name of [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (CID 67161180) is [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
The canonical SMILES for [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is Cc1ccc(C)c(N2C(=O)c3ccccc3C2(O)c2ccc3nc(NC(=O)O)[nH]c3c2)c1.
What is the InChIKey of [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
The InChIKey is RIQXCYZCWWQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-13-7-8-14(2)20(11-13)28-21(29)16-5-3-4-6-17(16)24(28,32)15-9-10-18-19(12-15)26-22(25-18)27-23(30)31/h3-12,32H,1-2H3,(H,30,31)(H2,25,26,27).
What are the key properties of [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
[6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 428.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2,5-dimethylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 67161180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).