N-[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 87335781

About N-[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

N-[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 87335781) has the molecular formula C58H63BrClF3N8O7 and a molecular weight of 1156.54 g/mol. Its IUPAC name is N-[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: N-[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: 87335781
• Molecular Formula: C58H63BrClF3N8O7
• Molecular Weight: 1156.54 g/mol
• Exact Mass: 1154.36
• IUPAC Name: N-[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)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)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;1-5-37-16-25(36-27(37)17(2)34-19(4)39)21-8-6-20(7-9-21)14-23(12-13-38)35-28(40)22-10-11-26(24(30)15-22)41-18(3)29(31,32)33/h4-11,15,17-18,24,35H,12-14H2,1-3H3,(H,32,36);6-11,15-18,23,38H,5,12-14H2,1-4H3,(H,34,39)(H,35,40)
• InChIKey: OQADYUJZLVCLOQ-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 205.13 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	10.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[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 N-[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 87335781) is N-[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 N-[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 N-[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)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)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 N-[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 OQADYUJZLVCLOQ-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;1-5-37-16-25(36-27(37)17(2)34-19(4)39)21-8-6-20(7-9-21)14-23(12-13-38)35-28(40)22-10-11-26(24(30)15-22)41-18(3)29(31,32)33/h4-11,15,17-18,24,35H,12-14H2,1-3H3,(H,32,36);6-11,15-18,23,38H,5,12-14H2,1-4H3,(H,34,39)(H,35,40).

What are the key properties of N-[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?

N-[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 10.93, 21 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[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 87335781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).