5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine

C19H18ClN5O2 — CID 119037474

IUPAC5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1N1CCCCC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H18ClN5O2/c20-14-10-17(25(26)27)19(22-11-14)24-9-5-4-8-16(24)18-21-12-15(23-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,16H,4-5,8-9H2,(H,21,23)
InChIKeyDKEKQURGWHZZSU-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.76
Rot. Bonds4

About 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine

5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine (PubChem CID 119037474) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine
PubChem CID119037474
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1N1CCCCC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H18ClN5O2/c20-14-10-17(25(26)27)19(22-11-14)24-9-5-4-8-16(24)18-21-12-15(23-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,16H,4-5,8-9H2,(H,21,23)
InChIKeyDKEKQURGWHZZSU-UHFFFAOYSA-N
XLogP4.76
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 15740880
2-[(2S)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223892
[(2S)-1-(5-chloro-3-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 97101938
cis-(1R,2S)-2-[4-(5-chloro-3-nitro-2-pyridinyl)-3-(4-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167295199
1-(5-chloro-3-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776578
1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 146132426
2-[4-(5-chloro-3-nitro-2-pyridinyl)-3-(4-chlorophenyl)piperazin-1-yl]-N-methylacetamide
CID 166033993
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 133430754
3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124621595
[(2R)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 95771955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine?
The IUPAC name of 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine (CID 119037474) is 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine is O=[N+]([O-])c1cc(Cl)cnc1N1CCCCC1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine?
The InChIKey is DKEKQURGWHZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-14-10-17(25(26)27)19(22-11-14)24-9-5-4-8-16(24)18-21-12-15(23-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,16H,4-5,8-9H2,(H,21,23).
What are the key properties of 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine?
5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine has a molecular weight of 383.84 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 119037474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).