N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide

C16H12BrClN4O3 — CID 78887272

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H12BrClN4O3/c17-10-4-6-11(7-5-10)25-9-13(23)20-21-16(24)14-15(18)19-12-3-1-2-8-22(12)14/h1-8H,9H2,(H,20,23)(H,21,24)
InChIKeySEWYXJVFZNJJOT-UHFFFAOYSA-N
MW423.65 g/mol
LogP2.59
Rot. Bonds4

About N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 78887272) has the molecular formula C16H12BrClN4O3 and a molecular weight of 423.65 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID78887272
Molecular FormulaC16H12BrClN4O3
Molecular Weight423.65 g/mol
Exact Mass421.98
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H12BrClN4O3/c17-10-4-6-11(7-5-10)25-9-13(23)20-21-16(24)14-15(18)19-12-3-1-2-8-22(12)14/h1-8H,9H2,(H,20,23)(H,21,24)
InChIKeySEWYXJVFZNJJOT-UHFFFAOYSA-N
XLogP2.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179158
2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
CID 7888739
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553
3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
CID 78877450
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 3654746
N'-[2-(4-bromophenoxy)acetyl]-4,5-dichloro-1-methylpyrrole-2-carbohydrazide
CID 78860966
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232
N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126006738
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
CID 7868379

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide (CID 78887272) is N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide is O=C(COc1ccc(Br)cc1)NNC(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is SEWYXJVFZNJJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O3/c17-10-4-6-11(7-5-10)25-9-13(23)20-21-16(24)14-15(18)19-12-3-1-2-8-22(12)14/h1-8H,9H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 423.65 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 78887272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).