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

C25H21N5O2 — CID 134044563

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

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 134044563) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 134044563
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2nnc(CCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)o2)cc1
• InChI: InChI=1S/C25H21N5O2/c1-16-10-12-17(13-11-16)25-30-29-23(32-25)15-14-22(31)26-19-7-3-2-6-18(19)24-27-20-8-4-5-9-21(20)28-24/h2-13H,14-15H2,1H3,(H,26,31)(H,27,28)
• InChIKey: MKENOLHKBWNJSB-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	5.16
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-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 134044563) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

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

The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)o2)cc1.

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

The InChIKey is MKENOLHKBWNJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-16-10-12-17(13-11-16)25-30-29-23(32-25)15-14-22(31)26-19-7-3-2-6-18(19)24-27-20-8-4-5-9-21(20)28-24/h2-13H,14-15H2,1H3,(H,26,31)(H,27,28).

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

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 423.48 g/mol, XLogP of 5.16, 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-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 134044563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).