2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

C28H29Cl2N3O3 — CID 68653901

About 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 68653901) has the molecular formula C28H29Cl2N3O3 and a molecular weight of 526.46 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
• PubChem CID: 68653901
• Molecular Formula: C28H29Cl2N3O3
• Molecular Weight: 526.46 g/mol
• Exact Mass: 525.16
• IUPAC Name: 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
• SMILES: Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4Cl)cc3)nc12
• InChI: InChI=1S/C28H29Cl2N3O3/c1-17(2)36-24-11-10-22(25(29)26(24)30)28(35)31-21(12-14-34)15-19-6-8-20(9-7-19)23-16-33-13-4-5-18(3)27(33)32-23/h4-11,13,16-17,21,34H,12,14-15H2,1-3H3,(H,31,35)
• InChIKey: LENRDLXUQDVLFD-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.46
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

The IUPAC name of 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (CID 68653901) is 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

The canonical SMILES for 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4Cl)cc3)nc12.

What is the InChIKey of 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

The InChIKey is LENRDLXUQDVLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O3/c1-17(2)36-24-11-10-22(25(29)26(24)30)28(35)31-21(12-14-34)15-19-6-8-20(9-7-19)23-16-33-13-4-5-18(3)27(33)32-23/h4-11,13,16-17,21,34H,12,14-15H2,1-3H3,(H,31,35).

What are the key properties of 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 526.46 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68653901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).