2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

C58H63BrClF3N8O7 — CID 87335783

About 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (PubChem CID 87335783) has the molecular formula C58H63BrClF3N8O7 and a molecular weight of 1156.54 g/mol. Its IUPAC name is 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
• PubChem CID: 87335783
• Molecular Formula: C58H63BrClF3N8O7
• Molecular Weight: 1156.54 g/mol
• Exact Mass: 1154.36
• IUPAC Name: 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
• SMILES: CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(C)NC(C)=O.Cc1ccc(Br)c2nc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)cn12
• InChI: InChI=1S/C29H29BrN4O3.C29H34ClF3N4O4/c1-18(2)37-27-11-9-22(15-23(27)16-31)29(36)32-24(12-13-35)14-20-5-7-21(8-6-20)26-17-34-19(3)4-10-25(30)28(34)33-26;1-5-37-15-23(36-28(37)16(2)35-18(4)39)20-8-6-19(7-9-20)14-21(12-13-38)25-22(27(34)40)10-11-24(26(25)30)41-17(3)29(31,32)33/h4-11,15,17-18,24,35H,12-14H2,1-3H3,(H,32,36);6-11,15-17,21,38H,5,12-14H2,1-4H3,(H2,34,40)(H,35,39)
• InChIKey: KCMGKUUUWLVMKN-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 219.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.54
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?

The IUPAC name of 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (CID 87335783) is 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.

What is the SMILES notation for 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?

The canonical SMILES for 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(C)NC(C)=O.Cc1ccc(Br)c2nc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)cn12.

What is the InChIKey of 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?

The InChIKey is KCMGKUUUWLVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29BrN4O3.C29H34ClF3N4O4/c1-18(2)37-27-11-9-22(15-23(27)16-31)29(36)32-24(12-13-35)14-20-5-7-21(8-6-20)26-17-34-19(3)4-10-25(30)28(34)33-26;1-5-37-15-23(36-28(37)16(2)35-18(4)39)20-8-6-19(7-9-20)14-21(12-13-38)25-22(27(34)40)10-11-24(26(25)30)41-17(3)29(31,32)33/h4-11,15,17-18,24,35H,12-14H2,1-3H3,(H,32,36);6-11,15-17,21,38H,5,12-14H2,1-4H3,(H2,34,40)(H,35,39).

What are the key properties of 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?

2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide has a molecular weight of 1156.54 g/mol, XLogP of 11.01, 21 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2-(1-acetamidoethyl)-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;N-[1-[4-(8-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87335783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).