2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one

C22H16FN3O2 — CID 146381607

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C(c1nc2ccc(F)cc2[nH]1)c1ccccc1O
InChIInChI=1S/C22H16FN3O2/c23-14-9-10-17-18(11-14)25-21(24-17)20(16-7-3-4-8-19(16)27)26-12-13-5-1-2-6-15(13)22(26)28/h1-11,20,27H,12H2,(H,24,25)
InChIKeyZUZAWRRXTKFRTK-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.15
Rot. Bonds3

About 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one

2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one (PubChem CID 146381607) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one
PubChem CID146381607
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C(c1nc2ccc(F)cc2[nH]1)c1ccccc1O
InChIInChI=1S/C22H16FN3O2/c23-14-9-10-17-18(11-14)25-21(24-17)20(16-7-3-4-8-19(16)27)26-12-13-5-1-2-6-15(13)22(26)28/h1-11,20,27H,12H2,(H,24,25)
InChIKeyZUZAWRRXTKFRTK-UHFFFAOYSA-N
XLogP4.15
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one (CID 146381607) is 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1C(c1nc2ccc(F)cc2[nH]1)c1ccccc1O.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one?
The InChIKey is ZUZAWRRXTKFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-14-9-10-17-18(11-14)25-21(24-17)20(16-7-3-4-8-19(16)27)26-12-13-5-1-2-6-15(13)22(26)28/h1-11,20,27H,12H2,(H,24,25).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one?
2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one has a molecular weight of 373.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)-(2-hydroxyphenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 146381607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).