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

C21H14ClN3O2 — CID 173114107

IUPAC3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1c1ccccc1Cl
InChIInChI=1S/C21H14ClN3O2/c22-16-7-3-4-8-19(16)25-20(26)14-5-1-2-6-15(14)21(25,27)13-9-10-17-18(11-13)24-12-23-17/h1-12,27H,(H,23,24)
InChIKeySLTNDXDLPXJHKT-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.07
Rot. Bonds2

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

3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one (PubChem CID 173114107) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one
PubChem CID173114107
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1c1ccccc1Cl
InChIInChI=1S/C21H14ClN3O2/c22-16-7-3-4-8-19(16)25-20(26)14-5-1-2-6-15(14)21(25,27)13-9-10-17-18(11-13)24-12-23-17/h1-12,27H,(H,23,24)
InChIKeySLTNDXDLPXJHKT-UHFFFAOYSA-N
XLogP4.07
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
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-(2-chlorophenyl)-3-hydroxyisoindol-1-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one (CID 173114107) is 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one is O=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1c1ccccc1Cl.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one?
The InChIKey is SLTNDXDLPXJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-16-7-3-4-8-19(16)25-20(26)14-5-1-2-6-15(14)21(25,27)13-9-10-17-18(11-13)24-12-23-17/h1-12,27H,(H,23,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one?
3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one has a molecular weight of 375.82 g/mol, XLogP of 4.07, 2 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-(2-chlorophenyl)-3-hydroxyisoindol-1-one is sourced from PubChem (CID 173114107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).