2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide

C31H26Cl2F2N6O2 — CID 67954180

About 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide

2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide (PubChem CID 67954180) has the molecular formula C31H26Cl2F2N6O2 and a molecular weight of 623.49 g/mol. Its IUPAC name is 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide
• PubChem CID: 67954180
• Molecular Formula: C31H26Cl2F2N6O2
• Molecular Weight: 623.49 g/mol
• Exact Mass: 622.15
• IUPAC Name: 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide
• SMILES: Nc1nnc(-c2nc(C3CCCCC3)n(-c3c(CC(=O)Nc4ccccc4)ccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1
• InChI: InChI=1S/C31H26Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h2,5-6,9-15,17H,1,3-4,7-8,16H2,(H2,36,40)(H,37,42)
• InChIKey: LVTCZQLXJGEKOF-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 111.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.49
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide?

The IUPAC name of 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide (CID 67954180) is 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide.

What is the SMILES notation for 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide?

The canonical SMILES for 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide is Nc1nnc(-c2nc(C3CCCCC3)n(-c3c(CC(=O)Nc4ccccc4)ccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1.

What is the InChIKey of 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide?

The InChIKey is LVTCZQLXJGEKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h2,5-6,9-15,17H,1,3-4,7-8,16H2,(H2,36,40)(H,37,42).

What are the key properties of 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide?

2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide has a molecular weight of 623.49 g/mol, XLogP of 7.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide is sourced from PubChem (CID 67954180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).