(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol

C15H19Cl2N3O2 — CID 126716029

IUPAC(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
SMILESOC(C[C@H]1NCCC[C@@H]1O)Cn1cnc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C15H19Cl2N3O2/c16-10-3-4-12-15(14(10)17)19-8-20(12)7-9(21)6-11-13(22)2-1-5-18-11/h3-4,8-9,11,13,18,21-22H,1-2,5-7H2/t9?,11-,13+/m1/s1
InChIKeyNHLLAWQSYROECO-WPLSFSDESA-N
MW344.24 g/mol
LogP2.21
Rot. Bonds4

About (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol

(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol (PubChem CID 126716029) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
PubChem CID126716029
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
SMILESOC(C[C@H]1NCCC[C@@H]1O)Cn1cnc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C15H19Cl2N3O2/c16-10-3-4-12-15(14(10)17)19-8-20(12)7-9(21)6-11-13(22)2-1-5-18-11/h3-4,8-9,11,13,18,21-22H,1-2,5-7H2/t9?,11-,13+/m1/s1
InChIKeyNHLLAWQSYROECO-WPLSFSDESA-N
XLogP2.21
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[3-(5-bromo-4-methylbenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
CID 126716041
7-bromo-6-chloro-3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one
CID 54772245
6-chloro-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-7-methylquinazolin-4-one;hydrochloride
CID 159583169
6-(3-chlorophenyl)-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one
CID 142602083
6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one
CID 142602107
7-bromo-6-chloro-3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one;3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one
CID 158153150
6-bromo-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylquinazolin-4-one;hydrochloride
CID 161081269
6-(3,4-difluorophenyl)-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]pyrido[3,2-d]pyrimidin-4-one
CID 142602109
(2R,3S)-2-[3-(7-chloro-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304233
(2R,3S)-2-[3-(5-chloro-4-methylbenzimidazol-1-yl)prop-1-ynyl]piperidin-3-ol;dihydrochloride
CID 153284020
(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
CID 131020224
(2R,3S)-2-[3-(5-bromo-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304029

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol (CID 126716029) is (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol is OC(C[C@H]1NCCC[C@@H]1O)Cn1cnc2c(Cl)c(Cl)ccc21.
What is the InChIKey of (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol?
The InChIKey is NHLLAWQSYROECO-WPLSFSDESA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-10-3-4-12-15(14(10)17)19-8-20(12)7-9(21)6-11-13(22)2-1-5-18-11/h3-4,8-9,11,13,18,21-22H,1-2,5-7H2/t9?,11-,13+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol?
(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol has a molecular weight of 344.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol is sourced from PubChem (CID 126716029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).