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

C22H15ClN4O4 — CID 67353576

IUPAC[6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C22H15ClN4O4/c23-13-4-3-5-14(11-13)27-19(28)15-6-1-2-7-16(15)22(27,31)12-8-9-17-18(10-12)25-20(24-17)26-21(29)30/h1-11,31H,(H,29,30)(H2,24,25,26)
InChIKeyXZBHVYHKLZCXHR-UHFFFAOYSA-N
MW434.84 g/mol
LogP4.16
Rot. Bonds3

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

[6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 67353576) has the molecular formula C22H15ClN4O4 and a molecular weight of 434.84 g/mol. Its IUPAC name is [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
PubChem CID67353576
Molecular FormulaC22H15ClN4O4
Molecular Weight434.84 g/mol
Exact Mass434.08
IUPAC Name[6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C22H15ClN4O4/c23-13-4-3-5-14(11-13)27-19(28)15-6-1-2-7-16(15)22(27,31)12-8-9-17-18(10-12)25-20(24-17)26-21(29)30/h1-11,31H,(H,29,30)(H2,24,25,26)
InChIKeyXZBHVYHKLZCXHR-UHFFFAOYSA-N
XLogP4.16
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
The IUPAC name of [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid (CID 67353576) is [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
The canonical SMILES for [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is O=C(O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
The InChIKey is XZBHVYHKLZCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O4/c23-13-4-3-5-14(11-13)27-19(28)15-6-1-2-7-16(15)22(27,31)12-8-9-17-18(10-12)25-20(24-17)26-21(29)30/h1-11,31H,(H,29,30)(H2,24,25,26).
What are the key properties of [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid?
[6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 434.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 67353576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).