3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

C85H89ClF3N13O11 — CID 173059727

About 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 173059727) has the molecular formula C85H89ClF3N13O11 and a molecular weight of 1561.17 g/mol. Its IUPAC name is 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

• Compound Name: 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
• PubChem CID: 173059727
• Molecular Formula: C85H89ClF3N13O11
• Molecular Weight: 1561.17 g/mol
• Exact Mass: 1559.64
• IUPAC Name: 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
• SMILES: CC(=NO)c1nc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)cn1C.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C(F)(F)F)c(C#N)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(CC(CNC(=O)CO)c4c(C(N)=O)ccc(OC(C)C)c4C#N)cc3)nc12
• InChI: InChI=1S/C30H31N5O4.C29H27F3N4O3.C26H31ClN4O4/c1-18(2)39-26-11-10-23(29(32)38)28(24(26)14-31)22(15-33-27(37)17-36)13-20-6-8-21(9-7-20)25-16-35-12-4-5-19(3)30(35)34-25;1-18-4-3-12-36-17-25(35-27(18)36)21-7-5-20(6-8-21)14-24(11-13-37)34-28(38)22-9-10-26(23(15-22)16-33)39-19(2)29(30,31)32;1-15(2)35-22-10-9-20(25(28)33)23(24(22)27)19(11-12-32)13-17-5-7-18(8-6-17)21-14-31(4)26(29-21)16(3)30-34/h4-12,16,18,22,36H,13,15,17H2,1-3H3,(H2,32,38)(H,33,37);3-10,12,15,17,19,24,37H,11,13-14H2,1-2H3,(H,34,38);5-10,14-15,19,32,34H,11-13H2,1-4H3,(H2,28,33)
• InChIKey: VSPNKZXLQJEZDR-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 365.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1561.17
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?

The IUPAC name of 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 173059727) is 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.

What is the SMILES notation for 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?

The canonical SMILES for 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(=NO)c1nc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)cn1C.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C(F)(F)F)c(C#N)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(CC(CNC(=O)CO)c4c(C(N)=O)ccc(OC(C)C)c4C#N)cc3)nc12.

What is the InChIKey of 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?

The InChIKey is VSPNKZXLQJEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4.C29H27F3N4O3.C26H31ClN4O4/c1-18(2)39-26-11-10-23(29(32)38)28(24(26)14-31)22(15-33-27(37)17-36)13-20-6-8-21(9-7-20)25-16-35-12-4-5-19(3)30(35)34-25;1-18-4-3-12-36-17-25(35-27(18)36)21-7-5-20(6-8-21)14-24(11-13-37)34-28(38)22-9-10-26(23(15-22)16-33)39-19(2)29(30,31)32;1-15(2)35-22-10-9-20(25(28)33)23(24(22)27)19(11-12-32)13-17-5-7-18(8-6-17)21-14-31(4)26(29-21)16(3)30-34/h4-12,16,18,22,36H,13,15,17H2,1-3H3,(H2,32,38)(H,33,37);3-10,12,15,17,19,24,37H,11,13-14H2,1-2H3,(H,34,38);5-10,14-15,19,32,34H,11-13H2,1-4H3,(H2,28,33).

What are the key properties of 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?

3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 1561.17 g/mol, XLogP of 13.27, 29 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 173059727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).