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

C39H30FN5O3 — CID 155535954

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

N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 155535954) has the molecular formula C39H30FN5O3 and a molecular weight of 635.70 g/mol. Its IUPAC name is N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
• PubChem CID: 155535954
• Molecular Formula: C39H30FN5O3
• Molecular Weight: 635.70 g/mol
• Exact Mass: 635.23
• IUPAC Name: N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
• SMILES: COc1ccc(-c2cc(-c3ccc(F)cc3)ccc2[C@H](Cn2ccnc2)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
• InChI: InChI=1S/C39H30FN5O3/c1-47-33-18-13-27(14-19-33)35-23-31(26-11-16-32(40)17-12-26)15-20-34(35)36(24-45-22-21-41-25-45)42-37(46)28-7-9-30(10-8-28)39-44-43-38(48-39)29-5-3-2-4-6-29/h2-23,25,36H,24H2,1H3,(H,42,46)/t36-/m0/s1
• InChIKey: WVTISNXXWFIIOL-BHVANESWSA-N
• XLogP: 8.25
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.70
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 155535954) is N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

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

The canonical SMILES for N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is COc1ccc(-c2cc(-c3ccc(F)cc3)ccc2[C@H](Cn2ccnc2)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.

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

The InChIKey is WVTISNXXWFIIOL-BHVANESWSA-N. The full InChI is InChI=1S/C39H30FN5O3/c1-47-33-18-13-27(14-19-33)35-23-31(26-11-16-32(40)17-12-26)15-20-34(35)36(24-45-22-21-41-25-45)42-37(46)28-7-9-30(10-8-28)39-44-43-38(48-39)29-5-3-2-4-6-29/h2-23,25,36H,24H2,1H3,(H,42,46)/t36-/m0/s1.

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

N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 635.70 g/mol, XLogP of 8.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 155535954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).