(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol

C15H20BrN3O — CID 135304084

IUPAC(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3O/c16-11-5-6-14-13(9-11)18-10-19(14)8-2-3-12-15(20)4-1-7-17-12/h5-6,9-10,12,15,17,20H,1-4,7-8H2/t12-,15+/m1/s1
InChIKeyXMRDOUDROMAXSO-DOMZBBRYSA-N
MW338.25 g/mol
LogP2.69
Rot. Bonds4

About (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol

(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol (PubChem CID 135304084) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
PubChem CID135304084
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3O/c16-11-5-6-14-13(9-11)18-10-19(14)8-2-3-12-15(20)4-1-7-17-12/h5-6,9-10,12,15,17,20H,1-4,7-8H2/t12-,15+/m1/s1
InChIKeyXMRDOUDROMAXSO-DOMZBBRYSA-N
XLogP2.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304241
(2R,3S)-2-[3-(5-bromo-6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746395
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
(2R,3S)-2-[3-(5-bromo-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304029
(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
(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355
(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
CID 161451686
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147
5-bromo-1-(2-cyclohexylethyl)benzimidazole
CID 139211305

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol (CID 135304084) is (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2cc(Br)ccc21.
What is the InChIKey of (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol?
The InChIKey is XMRDOUDROMAXSO-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-11-5-6-14-13(9-11)18-10-19(14)8-2-3-12-15(20)4-1-7-17-12/h5-6,9-10,12,15,17,20H,1-4,7-8H2/t12-,15+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol?
(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol has a molecular weight of 338.25 g/mol, XLogP of 2.69, 4 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-bromobenzimidazol-1-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).