N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

C84H89Cl2F5N12O12 — CID 87729349

About N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 87729349) has the molecular formula C84H89Cl2F5N12O12 and a molecular weight of 1624.60 g/mol. Its IUPAC name is N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
• PubChem CID: 87729349
• Molecular Formula: C84H89Cl2F5N12O12
• Molecular Weight: 1624.60 g/mol
• Exact Mass: 1622.60
• IUPAC Name: N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)NC(CCO)Cc2c(F)cc(-c3cn4c(n3)C(C)CCC4)cc2F)cc1Cl.CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn4cccc([N+](=O)[O-])c4n3)cc2)cc1C#N.CCn1cc(-c2ccc(CC(CC(=O)NC)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)=O
• InChI: InChI=1S/C28H30ClF3N4O4.C28H32ClF2N3O3.C28H27N5O5/c1-5-36-15-23(35-26(36)16(2)37)19-8-6-18(7-9-19)12-21(14-25(38)33-4)34-27(39)20-10-11-24(22(29)13-20)40-17(3)28(30,31)32;1-16(2)37-26-7-6-18(11-22(26)29)28(36)32-20(8-10-35)14-21-23(30)12-19(13-24(21)31)25-15-34-9-4-5-17(3)27(34)33-25;1-18(2)38-26-10-9-21(15-22(26)16-29)28(35)30-23(11-13-34)14-19-5-7-20(8-6-19)24-17-32-12-3-4-25(33(36)37)27(32)31-24/h6-11,13,15,17,21H,5,12,14H2,1-4H3,(H,33,38)(H,34,39);6-7,11-13,15-17,20,35H,4-5,8-10,14H2,1-3H3,(H,32,36);3-10,12,15,17-18,23,34H,11,13-14H2,1-2H3,(H,30,35)
• InChIKey: HXGCFAUKMZBFDD-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 321.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.60
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (CID 87729349) is N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CCO)Cc2c(F)cc(-c3cn4c(n3)C(C)CCC4)cc2F)cc1Cl.CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn4cccc([N+](=O)[O-])c4n3)cc2)cc1C#N.CCn1cc(-c2ccc(CC(CC(=O)NC)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)=O.

What is the InChIKey of N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

The InChIKey is HXGCFAUKMZBFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF3N4O4.C28H32ClF2N3O3.C28H27N5O5/c1-5-36-15-23(35-26(36)16(2)37)19-8-6-18(7-9-19)12-21(14-25(38)33-4)34-27(39)20-10-11-24(22(29)13-20)40-17(3)28(30,31)32;1-16(2)37-26-7-6-18(11-22(26)29)28(36)32-20(8-10-35)14-21-23(30)12-19(13-24(21)31)25-15-34-9-4-5-17(3)27(34)33-25;1-18(2)38-26-10-9-21(15-22(26)16-29)28(35)30-23(11-13-34)14-19-5-7-20(8-6-19)24-17-32-12-3-4-25(33(36)37)27(32)31-24/h6-11,13,15,17,21H,5,12,14H2,1-4H3,(H,33,38)(H,34,39);6-7,11-13,15-17,20,35H,4-5,8-10,14H2,1-3H3,(H,32,36);3-10,12,15,17-18,23,34H,11,13-14H2,1-2H3,(H,30,35).

What are the key properties of N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?

N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 1624.60 g/mol, XLogP of 15.41, 30 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2-acetyl-1-ethylimidazol-4-yl)phenyl]-4-(methylamino)-4-oxobutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[2,6-difluoro-4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-nitroimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87729349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).