1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C19H22N4O2 — CID 95288811

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 95288811) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
• PubChem CID: 95288811
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
• SMILES: Cc1cccc2nc(CNC(=O)N[C@H](CO)Cc3ccccc3)cn12
• InChI: InChI=1S/C19H22N4O2/c1-14-6-5-9-18-21-17(12-23(14)18)11-20-19(25)22-16(13-24)10-15-7-3-2-4-8-15/h2-9,12,16,24H,10-11,13H2,1H3,(H2,20,22,25)/t16-/m0/s1
• InChIKey: WWKVZKHDVUVOAJ-INIZCTEOSA-N
• XLogP: 2.05
• TPSA: 78.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 95288811) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is Cc1cccc2nc(CNC(=O)N[C@H](CO)Cc3ccccc3)cn12.

What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The InChIKey is WWKVZKHDVUVOAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-6-5-9-18-21-17(12-23(14)18)11-20-19(25)22-16(13-24)10-15-7-3-2-4-8-15/h2-9,12,16,24H,10-11,13H2,1H3,(H2,20,22,25)/t16-/m0/s1.

What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 95288811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).