2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one

C23H19N3O2 — CID 67044208

IUPAC2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one
SMILESCc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H19N3O2/c1-15-24-20-12-11-17(13-21(20)25-15)23(28)19-10-6-5-9-18(19)22(27)26(23)14-16-7-3-2-4-8-16/h2-13,28H,14H2,1H3,(H,24,25)
InChIKeyVMVSXMARTHVYRB-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.72
Rot. Bonds3

About 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one

2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one (PubChem CID 67044208) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one
PubChem CID67044208
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one
SMILESCc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H19N3O2/c1-15-24-20-12-11-17(13-21(20)25-15)23(28)19-10-6-5-9-18(19)22(27)26(23)14-16-7-3-2-4-8-16/h2-13,28H,14H2,1H3,(H,24,25)
InChIKeyVMVSXMARTHVYRB-UHFFFAOYSA-N
XLogP3.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one?
The IUPAC name of 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one (CID 67044208) is 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one.
What is the SMILES notation for 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one?
The canonical SMILES for 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one is Cc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1.
What is the InChIKey of 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one?
The InChIKey is VMVSXMARTHVYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-24-20-12-11-17(13-21(20)25-15)23(28)19-10-6-5-9-18(19)22(27)26(23)14-16-7-3-2-4-8-16/h2-13,28H,14H2,1H3,(H,24,25).
What are the key properties of 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one?
2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one has a molecular weight of 369.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)isoindol-1-one is sourced from PubChem (CID 67044208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).