5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one

C21H24FN3O2 — CID 16676296

IUPAC5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CN3CCC(O)(c4ccccc4F)CC3)ccc21
InChIInChI=1S/C21H24FN3O2/c1-23-18-8-7-15(13-19(18)24(2)20(23)26)14-25-11-9-21(27,10-12-25)16-5-3-4-6-17(16)22/h3-8,13,27H,9-12,14H2,1-2H3
InChIKeyAAXSYJJKUFSTSE-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.50
Rot. Bonds3

About 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 16676296) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID16676296
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CN3CCC(O)(c4ccccc4F)CC3)ccc21
InChIInChI=1S/C21H24FN3O2/c1-23-18-8-7-15(13-19(18)24(2)20(23)26)14-25-11-9-21(27,10-12-25)16-5-3-4-6-17(16)22/h3-8,13,27H,9-12,14H2,1-2H3
InChIKeyAAXSYJJKUFSTSE-UHFFFAOYSA-N
XLogP2.50
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3228836
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CID 3720973
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CID 16667756
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CID 16674055
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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (CID 16676296) is 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(CN3CCC(O)(c4ccccc4F)CC3)ccc21.
What is the InChIKey of 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is AAXSYJJKUFSTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-23-18-8-7-15(13-19(18)24(2)20(23)26)14-25-11-9-21(27,10-12-25)16-5-3-4-6-17(16)22/h3-8,13,27H,9-12,14H2,1-2H3.
What are the key properties of 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 369.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 16676296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).