N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide

C94H88Cl2N12O7 — CID 54532450

About N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide

N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide (PubChem CID 54532450) has the molecular formula C94H88Cl2N12O7 and a molecular weight of 1568.72 g/mol. Its IUPAC name is N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
• PubChem CID: 54532450
• Molecular Formula: C94H88Cl2N12O7
• Molecular Weight: 1568.72 g/mol
• Exact Mass: 1566.63
• IUPAC Name: N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
• SMILES: CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(-c2[nH]cc(-c3ccc(Cl)cc3)c2C#N)cc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1-c1cnc(-c2ccccc2)[nH]1.Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2cnc(-n3nc(-c4ccccc4)c(Cl)c3NC(=O)c3ccccc3)[nH]2)c(C)c1
• InChI: InChI=1S/C36H31ClN6O3.C29H26ClN3O2.C29H31N3O2/c1-22-18-19-30(23(2)20-22)46-24(3)34(44)39-28-17-11-10-16-27(28)29-21-38-36(40-29)43-33(41-35(45)26-14-8-5-9-15-26)31(37)32(42-43)25-12-6-4-7-13-25;1-4-26(35-27-14-5-18(2)15-19(27)3)29(34)33-23-12-8-21(9-13-23)28-24(16-31)25(17-32-28)20-6-10-22(30)11-7-20;1-4-5-15-27(34-26-17-16-20(2)18-21(26)3)29(33)32-24-14-10-9-13-23(24)25-19-30-28(31-25)22-11-7-6-8-12-22/h4-21,24H,1-3H3,(H,38,40)(H,39,44)(H,41,45);5-15,17,26,32H,4H2,1-3H3,(H,33,34);6-14,16-19,27H,4-5,15H2,1-3H3,(H,30,31)(H,32,33)
• InChIKey: YXLUMRYVRIYBIA-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 258.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1568.72
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?

The IUPAC name of N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide (CID 54532450) is N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide.

What is the SMILES notation for N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?

The canonical SMILES for N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(-c2[nH]cc(-c3ccc(Cl)cc3)c2C#N)cc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1-c1cnc(-c2ccccc2)[nH]1.Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2cnc(-n3nc(-c4ccccc4)c(Cl)c3NC(=O)c3ccccc3)[nH]2)c(C)c1.

What is the InChIKey of N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?

The InChIKey is YXLUMRYVRIYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31ClN6O3.C29H26ClN3O2.C29H31N3O2/c1-22-18-19-30(23(2)20-22)46-24(3)34(44)39-28-17-11-10-16-27(28)29-21-38-36(40-29)43-33(41-35(45)26-14-8-5-9-15-26)31(37)32(42-43)25-12-6-4-7-13-25;1-4-26(35-27-14-5-18(2)15-19(27)3)29(34)33-23-12-8-21(9-13-23)28-24(16-31)25(17-32-28)20-6-10-22(30)11-7-20;1-4-5-15-27(34-26-17-16-20(2)18-21(26)3)29(33)32-24-14-10-9-13-23(24)25-19-30-28(31-25)22-11-7-6-8-12-22/h4-21,24H,1-3H3,(H,38,40)(H,39,44)(H,41,45);5-15,17,26,32H,4H2,1-3H3,(H,33,34);6-14,16-19,27H,4-5,15H2,1-3H3,(H,30,31)(H,32,33).

What are the key properties of N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?

N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide has a molecular weight of 1568.72 g/mol, XLogP of 22.08, 25 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide is sourced from PubChem (CID 54532450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).