2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate

C21H22ClN3O3 — CID 2349289

IUPAC2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C21H22ClN3O3/c1-21(2,3)15-9-7-14(8-10-15)20(27)28-13-11-23-19(26)17-18(22)24-16-6-4-5-12-25(16)17/h4-10,12H,11,13H2,1-3H3,(H,23,26)
InChIKeyZWGJNERVOHMPPI-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.87
Rot. Bonds5

About 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate

2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate (PubChem CID 2349289) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate.

Molecular Properties

Compound Name2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate
PubChem CID2349289
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C21H22ClN3O3/c1-21(2,3)15-9-7-14(8-10-15)20(27)28-13-11-23-19(26)17-18(22)24-16-6-4-5-12-25(16)17/h4-10,12H,11,13H2,1-3H3,(H,23,26)
InChIKeyZWGJNERVOHMPPI-UHFFFAOYSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
CID 99781385
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111484909
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228
4-tert-butyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]benzamide
CID 9021187
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate
CID 42743708
2-chloro-N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111460280
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
3-pyrazol-1-ylpropyl 4-tert-butylbenzoate
CID 86900951
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
3-(4-fluorophenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051675

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate?
The IUPAC name of 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate (CID 2349289) is 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate.
What is the SMILES notation for 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate?
The canonical SMILES for 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate is CC(C)(C)c1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1.
What is the InChIKey of 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate?
The InChIKey is ZWGJNERVOHMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-21(2,3)15-9-7-14(8-10-15)20(27)28-13-11-23-19(26)17-18(22)24-16-6-4-5-12-25(16)17/h4-10,12H,11,13H2,1-3H3,(H,23,26).
What are the key properties of 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate?
2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate has a molecular weight of 399.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate is sourced from PubChem (CID 2349289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).