(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol

C21H23ClFN3O — CID 135304685

IUPAC(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3cccc(F)c3)c21
InChIInChI=1S/C21H23ClFN3O/c22-15-11-17(14-4-1-5-16(23)10-14)21-19(12-15)25-13-26(21)9-3-6-18-20(27)7-2-8-24-18/h1,4-5,10-13,18,20,24,27H,2-3,6-9H2/t18-,20+/m1/s1
InChIKeyWFPSLYMRRWBWHQ-QUCCMNQESA-N
MW387.89 g/mol
LogP4.39
Rot. Bonds5

About (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol

(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 135304685) has the molecular formula C21H23ClFN3O and a molecular weight of 387.89 g/mol. Its IUPAC name is (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID135304685
Molecular FormulaC21H23ClFN3O
Molecular Weight387.89 g/mol
Exact Mass387.15
IUPAC Name(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3cccc(F)c3)c21
InChIInChI=1S/C21H23ClFN3O/c22-15-11-17(14-4-1-5-16(23)10-14)21-19(12-15)25-13-26(21)9-3-6-18-20(27)7-2-8-24-18/h1,4-5,10-13,18,20,24,27H,2-3,6-9H2/t18-,20+/m1/s1
InChIKeyWFPSLYMRRWBWHQ-QUCCMNQESA-N
XLogP4.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-[3-(5-chloro-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 135304282
5-[6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]benzimidazol-4-yl]-1-methylpyridin-2-one
CID 135304121
(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
CID 135304119
(2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane
CID 158060116
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147
(2R,3S)-2-[3-(7-chloro-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304233
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-[7-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;dihydrochloride
CID 142746342
(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746476

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol (CID 135304685) is (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Cl)cc(-c3cccc(F)c3)c21.
What is the InChIKey of (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is WFPSLYMRRWBWHQ-QUCCMNQESA-N. The full InChI is InChI=1S/C21H23ClFN3O/c22-15-11-17(14-4-1-5-16(23)10-14)21-19(12-15)25-13-26(21)9-3-6-18-20(27)7-2-8-24-18/h1,4-5,10-13,18,20,24,27H,2-3,6-9H2/t18-,20+/m1/s1.
What are the key properties of (2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 387.89 g/mol, XLogP of 4.39, 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-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 135304685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).