(2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol

C21H24FN3O — CID 135304278

IUPAC(2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C21H24FN3O/c22-17-8-5-15(6-9-17)16-7-10-18-20(13-16)25(14-24-18)12-2-3-19-21(26)4-1-11-23-19/h5-10,13-14,19,21,23,26H,1-4,11-12H2/t19-,21+/m1/s1
InChIKeyMYVUABBVUNZAFF-CTNGQTDRSA-N
MW353.44 g/mol
LogP3.74
Rot. Bonds5

About (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol

(2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 135304278) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID135304278
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C21H24FN3O/c22-17-8-5-15(6-9-17)16-7-10-18-20(13-16)25(14-24-18)12-2-3-19-21(26)4-1-11-23-19/h5-10,13-14,19,21,23,26H,1-4,11-12H2/t19-,21+/m1/s1
InChIKeyMYVUABBVUNZAFF-CTNGQTDRSA-N
XLogP3.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol (CID 135304278) is (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3ccc(F)cc3)cc21.
What is the InChIKey of (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is MYVUABBVUNZAFF-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-17-8-5-15(6-9-17)16-7-10-18-20(13-16)25(14-24-18)12-2-3-19-21(26)4-1-11-23-19/h5-10,13-14,19,21,23,26H,1-4,11-12H2/t19-,21+/m1/s1.
What are the key properties of (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
(2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 353.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-[6-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 135304278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).