2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C29H29BrClN5O3 — CID 173059135

About 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 173059135) has the molecular formula C29H29BrClN5O3 and a molecular weight of 610.94 g/mol. Its IUPAC name is 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• PubChem CID: 173059135
• Molecular Formula: C29H29BrClN5O3
• Molecular Weight: 610.94 g/mol
• Exact Mass: 609.11
• IUPAC Name: 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(N)=O)c(C(Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)CN2CCNC2=O)c1Cl
• InChI: InChI=1S/C29H29BrClN5O3/c1-17(2)39-24-10-9-21(27(32)37)25(26(24)31)20(15-36-13-11-33-29(36)38)14-18-5-7-19(8-6-18)23-16-35-12-3-4-22(30)28(35)34-23/h3-10,12,16-17,20H,11,13-15H2,1-2H3,(H2,32,37)(H,33,38)
• InChIKey: MFSVIAXXQYYJQS-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.94
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The IUPAC name of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 173059135) is 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

What is the SMILES notation for 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The canonical SMILES for 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)c(C(Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)CN2CCNC2=O)c1Cl.

What is the InChIKey of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The InChIKey is MFSVIAXXQYYJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29BrClN5O3/c1-17(2)39-24-10-9-21(27(32)37)25(26(24)31)20(15-36-13-11-33-29(36)38)14-18-5-7-19(8-6-18)23-16-35-12-3-4-22(30)28(35)34-23/h3-10,12,16-17,20H,11,13-15H2,1-2H3,(H2,32,37)(H,33,38).

What are the key properties of 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 610.94 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 173059135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).