N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine

C20H11Cl3N6O — CID 25235257

About N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine

N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 25235257) has the molecular formula C20H11Cl3N6O and a molecular weight of 457.71 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 25235257
• Molecular Formula: C20H11Cl3N6O
• Molecular Weight: 457.71 g/mol
• Exact Mass: 456.01
• IUPAC Name: N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
• SMILES: Clc1cc(Nc2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)ccn1
• InChI: InChI=1S/C20H11Cl3N6O/c21-12-2-1-3-13(22)17(12)18-26-14-5-4-10(8-15(14)27-18)19-28-29-20(30-19)25-11-6-7-24-16(23)9-11/h1-9H,(H,26,27)(H,24,25,29)
• InChIKey: RTCQRWIAYHAAMH-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 92.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.71
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine (CID 25235257) is N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine is Clc1cc(Nc2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)ccn1.

What is the InChIKey of N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?

The InChIKey is RTCQRWIAYHAAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N6O/c21-12-2-1-3-13(22)17(12)18-26-14-5-4-10(8-15(14)27-18)19-28-29-20(30-19)25-11-6-7-24-16(23)9-11/h1-9H,(H,26,27)(H,24,25,29).

What are the key properties of N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?

N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 457.71 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-pyridinyl)-5-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25235257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).