ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate

C24H19Cl2N3O3 — CID 10479731

IUPACethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C24H19Cl2N3O3/c1-2-32-24(31)21(28-23(30)16-6-4-3-5-7-16)22-20(15-8-10-17(25)11-9-15)27-19-13-12-18(26)14-29(19)22/h3-14,21H,2H2,1H3,(H,28,30)
InChIKeyIRAYGHXPCDXJQD-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.34
Rot. Bonds6

About ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate

ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate (PubChem CID 10479731) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
PubChem CID10479731
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Nameethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C24H19Cl2N3O3/c1-2-32-24(31)21(28-23(30)16-6-4-3-5-7-16)22-20(15-8-10-17(25)11-9-15)27-19-13-12-18(26)14-29(19)22/h3-14,21H,2H2,1H3,(H,28,30)
InChIKeyIRAYGHXPCDXJQD-UHFFFAOYSA-N
XLogP5.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate with MolForge

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Related Compounds

ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 34314660
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138983171
ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
CID 135314125
ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
CID 72734768
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 18671711
ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138982849
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056527
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate
CID 1488122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate (CID 10479731) is ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The InChIKey is IRAYGHXPCDXJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-2-32-24(31)21(28-23(30)16-6-4-3-5-7-16)22-20(15-8-10-17(25)11-9-15)27-19-13-12-18(26)14-29(19)22/h3-14,21H,2H2,1H3,(H,28,30).
What are the key properties of ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate has a molecular weight of 468.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate is sourced from PubChem (CID 10479731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).