3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide

C18H17ClN4O2 — CID 25429914

IUPAC3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCc1cn2ccccc2n1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-3-4-13(10-14)18(25)21-11-17(24)20-8-7-15-12-23-9-2-1-6-16(23)22-15/h1-6,9-10,12H,7-8,11H2,(H,20,24)(H,21,25)
InChIKeyMBAUMNLVYAFBQG-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.08
Rot. Bonds6

About 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide

3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide (PubChem CID 25429914) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
PubChem CID25429914
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCc1cn2ccccc2n1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-3-4-13(10-14)18(25)21-11-17(24)20-8-7-15-12-23-9-2-1-6-16(23)22-15/h1-6,9-10,12H,7-8,11H2,(H,20,24)(H,21,25)
InChIKeyMBAUMNLVYAFBQG-UHFFFAOYSA-N
XLogP2.08
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide (CID 25429914) is 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)NCCc1cn2ccccc2n1.
What is the InChIKey of 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide?
The InChIKey is MBAUMNLVYAFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-5-3-4-13(10-14)18(25)21-11-17(24)20-8-7-15-12-23-9-2-1-6-16(23)22-15/h1-6,9-10,12H,7-8,11H2,(H,20,24)(H,21,25).
What are the key properties of 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide?
3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 25429914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).