3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one

C22H16FN3O2 — CID 169092859

IUPAC3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one
SMILESCN1C(=O)C(c2nc3ccccc3[nH]2)(c2c(O)cccc2F)c2ccccc21
InChIInChI=1S/C22H16FN3O2/c1-26-17-11-5-2-7-13(17)22(21(26)28,19-14(23)8-6-12-18(19)27)20-24-15-9-3-4-10-16(15)25-20/h2-12,27H,1H3,(H,24,25)
InChIKeyWOBNLFHTYLSENT-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.72
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one

3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one (PubChem CID 169092859) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one
PubChem CID169092859
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one
SMILESCN1C(=O)C(c2nc3ccccc3[nH]2)(c2c(O)cccc2F)c2ccccc21
InChIInChI=1S/C22H16FN3O2/c1-26-17-11-5-2-7-13(17)22(21(26)28,19-14(23)8-6-12-18(19)27)20-24-15-9-3-4-10-16(15)25-20/h2-12,27H,1H3,(H,24,25)
InChIKeyWOBNLFHTYLSENT-UHFFFAOYSA-N
XLogP3.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-3-(3-chloro-2-hydroxyphenyl)-1-methylindol-2-one
CID 169092841
4-(1H-benzimidazol-2-yl)-4-(2-hydroxy-4-methylphenyl)-2-methylisoquinoline-1,3-dione
CID 169092838
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate
CID 134845126
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250
3-hydroxy-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-1-methylindol-2-one
CID 102171347
2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
CID 149030200

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one (CID 169092859) is 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one is CN1C(=O)C(c2nc3ccccc3[nH]2)(c2c(O)cccc2F)c2ccccc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one?
The InChIKey is WOBNLFHTYLSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-26-17-11-5-2-7-13(17)22(21(26)28,19-14(23)8-6-12-18(19)27)20-24-15-9-3-4-10-16(15)25-20/h2-12,27H,1H3,(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one?
3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one has a molecular weight of 373.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one is sourced from PubChem (CID 169092859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).