N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C37H25ClF2N6O2 — CID 155531616

About N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 155531616) has the molecular formula C37H25ClF2N6O2 and a molecular weight of 659.10 g/mol. Its IUPAC name is N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 155531616
• Molecular Formula: C37H25ClF2N6O2
• Molecular Weight: 659.10 g/mol
• Exact Mass: 658.17
• IUPAC Name: N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3cc(-c4ccccn4)ccc3F)o2)cc1
• InChI: InChI=1S/C37H25ClF2N6O2/c38-31-20-26(23-8-12-28(39)13-9-23)10-14-29(31)34(21-46-18-17-41-22-46)43-35(47)24-4-6-25(7-5-24)36-44-45-37(48-36)30-19-27(11-15-32(30)40)33-3-1-2-16-42-33/h1-20,22,34H,21H2,(H,43,47)/t34-/m0/s1
• InChIKey: FXWUIEFJAFDYSH-UMSFTDKQSA-N
• XLogP: 8.43
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.10
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 155531616) is N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3cc(-c4ccccn4)ccc3F)o2)cc1.

What is the InChIKey of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is FXWUIEFJAFDYSH-UMSFTDKQSA-N. The full InChI is InChI=1S/C37H25ClF2N6O2/c38-31-20-26(23-8-12-28(39)13-9-23)10-14-29(31)34(21-46-18-17-41-22-46)43-35(47)24-4-6-25(7-5-24)36-44-45-37(48-36)30-19-27(11-15-32(30)40)33-3-1-2-16-42-33/h1-20,22,34H,21H2,(H,43,47)/t34-/m0/s1.

What are the key properties of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 659.10 g/mol, XLogP of 8.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 155531616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).