N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide

C55H58Cl2F3N7O8 — CID 87336331

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

N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 87336331) has the molecular formula C55H58Cl2F3N7O8 and a molecular weight of 1073.01 g/mol. Its IUPAC name is N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
• PubChem CID: 87336331
• Molecular Formula: C55H58Cl2F3N7O8
• Molecular Weight: 1073.01 g/mol
• Exact Mass: 1071.37
• IUPAC Name: N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
• SMILES: CC(=O)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)cn1C.Cc1cccn2cc(-c3ccc(CC(CNC(=O)CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12
• InChI: InChI=1S/C29H31ClN4O4.C26H27ClF3N3O4/c1-18(2)38-26-11-10-22(14-24(26)30)29(37)32-23(15-31-27(36)17-35)13-20-6-8-21(9-7-20)25-16-34-12-4-5-19(3)28(34)33-25;1-15(35)24-32-22(14-33(24)3)18-6-4-17(5-7-18)12-20(10-11-34)31-25(36)19-8-9-23(21(27)13-19)37-16(2)26(28,29)30/h4-12,14,16,18,23,35H,13,15,17H2,1-3H3,(H,31,36)(H,32,37);4-9,13-14,16,20,34H,10-12H2,1-3H3,(H,31,36)
• InChIKey: XEIWYMDGAGBZRW-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 198.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.01
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide (CID 87336331) is N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide.

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

The canonical SMILES for N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide is CC(=O)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)cn1C.Cc1cccn2cc(-c3ccc(CC(CNC(=O)CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.

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

The InChIKey is XEIWYMDGAGBZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O4.C26H27ClF3N3O4/c1-18(2)38-26-11-10-22(14-24(26)30)29(37)32-23(15-31-27(36)17-35)13-20-6-8-21(9-7-20)25-16-34-12-4-5-19(3)28(34)33-25;1-15(35)24-32-22(14-33(24)3)18-6-4-17(5-7-18)12-20(10-11-34)31-25(36)19-8-9-23(21(27)13-19)37-16(2)26(28,29)30/h4-12,14,16,18,23,35H,13,15,17H2,1-3H3,(H,31,36)(H,32,37);4-9,13-14,16,20,34H,10-12H2,1-3H3,(H,31,36).

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

N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 1073.01 g/mol, XLogP of 9.20, 20 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-N-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87336331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).