(2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol

C16H20Cl2N4O2 — CID 126730847

IUPAC(2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol
SMILESCO/N=C(/C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C16H20Cl2N4O2/c1-24-21-10(5-14-16(23)3-2-4-19-14)8-22-9-20-13-6-11(17)12(18)7-15(13)22/h6-7,9,14,16,19,23H,2-5,8H2,1H3/b21-10-/t14-,16+/m1/s1
InChIKeyNAUDZBJMEJVRAJ-QINWUOBPSA-N
MW371.27 g/mol
LogP2.85
Rot. Bonds5

About (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol

(2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol (PubChem CID 126730847) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol
PubChem CID126730847
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name(2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol
SMILESCO/N=C(/C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C16H20Cl2N4O2/c1-24-21-10(5-14-16(23)3-2-4-19-14)8-22-9-20-13-6-11(17)12(18)7-15(13)22/h6-7,9,14,16,19,23H,2-5,8H2,1H3/b21-10-/t14-,16+/m1/s1
InChIKeyNAUDZBJMEJVRAJ-QINWUOBPSA-N
XLogP2.85
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol with MolForge

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Related Compounds

1-(5-chlorobenzimidazol-1-yl)-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propan-2-one
CID 126716140
(2R,3S)-2-[(E)-3-(5,6-dichlorobenzimidazol-1-yl)prop-1-enyl]piperidin-3-ol;dihydrochloride
CID 153284028
CID 89101792
CID 89101792
(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
CID 161451686
5,6-dichloro-1-[(E)-3-[(2S)-pyrrolidin-2-yl]prop-2-enyl]benzimidazole
CID 153284016
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 169441110
7-bromo-6-chloro-3-[3-[(2R,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 159308608
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746476
7-bromo-6-chloro-3-[2-[(3-hydroxypiperidin-2-yl)methyl]prop-2-enyl]quinazolin-4-one
CID 46184866
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrochloride
CID 169441109

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol (CID 126730847) is (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol is CO/N=C(/C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Cl)c(Cl)cc21.
What is the InChIKey of (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol?
The InChIKey is NAUDZBJMEJVRAJ-QINWUOBPSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2/c1-24-21-10(5-14-16(23)3-2-4-19-14)8-22-9-20-13-6-11(17)12(18)7-15(13)22/h6-7,9,14,16,19,23H,2-5,8H2,1H3/b21-10-/t14-,16+/m1/s1.
What are the key properties of (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol?
(2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol has a molecular weight of 371.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(2Z)-3-(5,6-dichlorobenzimidazol-1-yl)-2-methoxyiminopropyl]piperidin-3-ol is sourced from PubChem (CID 126730847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).