4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C21H23ClN4O2 — CID 25350163

About 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 25350163) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 25350163
• Molecular Formula: C21H23ClN4O2
• Molecular Weight: 398.89 g/mol
• Exact Mass: 398.15
• IUPAC Name: 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1
• InChI: InChI=1S/C21H23ClN4O2/c1-14(2)19(25-20(27)15-6-8-16(22)9-7-15)21(28)23-11-10-17-13-26-12-4-3-5-18(26)24-17/h3-9,12-14,19H,10-11H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1
• InChIKey: VNTNUFHXOQNSME-IBGZPJMESA-N
• XLogP: 3.10
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.89
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 25350163) is 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1.

What is the InChIKey of 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is VNTNUFHXOQNSME-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-14(2)19(25-20(27)15-6-8-16(22)9-7-15)21(28)23-11-10-17-13-26-12-4-3-5-18(26)24-17/h3-9,12-14,19H,10-11H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1.

What are the key properties of 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25350163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).