N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H20FN5O2 — CID 60546527

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 60546527) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 60546527
• Molecular Formula: C25H20FN5O2
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.16
• IUPAC Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)n2)cc1F
• InChI: InChI=1S/C25H20FN5O2/c1-15-10-11-16(14-18(15)26)24-30-23(33-31-24)13-12-22(32)27-19-7-3-2-6-17(19)25-28-20-8-4-5-9-21(20)29-25/h2-11,14H,12-13H2,1H3,(H,27,32)(H,28,29)
• InChIKey: GCKNJHOCTIWBNL-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 60546527) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)n2)cc1F.

What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is GCKNJHOCTIWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-15-10-11-16(14-18(15)26)24-30-23(33-31-24)13-12-22(32)27-19-7-3-2-6-17(19)25-28-20-8-4-5-9-21(20)29-25/h2-11,14H,12-13H2,1H3,(H,27,32)(H,28,29).

What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 441.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 60546527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).