3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one

C22H16ClN3O2 — CID 175279985

IUPAC3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O2/c23-16-5-3-4-14(10-16)12-26-21(27)17-6-1-2-7-18(17)22(26,28)15-8-9-19-20(11-15)25-13-24-19/h1-11,13,28H,12H2,(H,24,25)
InChIKeyARKXLKGKGNRHKL-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.07
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one

3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one (PubChem CID 175279985) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
PubChem CID175279985
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O2/c23-16-5-3-4-14(10-16)12-26-21(27)17-6-1-2-7-18(17)22(26,28)15-8-9-19-20(11-15)25-13-24-19/h1-11,13,28H,12H2,(H,24,25)
InChIKeyARKXLKGKGNRHKL-UHFFFAOYSA-N
XLogP4.07
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one (CID 175279985) is 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one is O=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
The InChIKey is ARKXLKGKGNRHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-16-5-3-4-14(10-16)12-26-21(27)17-6-1-2-7-18(17)22(26,28)15-8-9-19-20(11-15)25-13-24-19/h1-11,13,28H,12H2,(H,24,25).
What are the key properties of 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one has a molecular weight of 389.84 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one is sourced from PubChem (CID 175279985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).