2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide

C21H15Cl2F3N6O3 — CID 139815618

About 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide

2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide (PubChem CID 139815618) has the molecular formula C21H15Cl2F3N6O3 and a molecular weight of 527.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide
• PubChem CID: 139815618
• Molecular Formula: C21H15Cl2F3N6O3
• Molecular Weight: 527.29 g/mol
• Exact Mass: 526.05
• IUPAC Name: 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide
• SMILES: Cc1nnc(CNC(=O)Cn2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccc32)o1
• InChI: InChI=1S/C21H15Cl2F3N6O3/c1-10-30-31-16(35-10)8-27-15(33)9-32-14-7-3-6-13(18(14)29-20(32)21(24,25)26)28-19(34)17-11(22)4-2-5-12(17)23/h2-7H,8-9H2,1H3,(H,27,33)(H,28,34)
• InChIKey: OACPNQIKAYNKTC-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.29
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide?

The IUPAC name of 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide (CID 139815618) is 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide.

What is the SMILES notation for 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide?

The canonical SMILES for 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide is Cc1nnc(CNC(=O)Cn2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccc32)o1.

What is the InChIKey of 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide?

The InChIKey is OACPNQIKAYNKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N6O3/c1-10-30-31-16(35-10)8-27-15(33)9-32-14-7-3-6-13(18(14)29-20(32)21(24,25)26)28-19(34)17-11(22)4-2-5-12(17)23/h2-7H,8-9H2,1H3,(H,27,33)(H,28,34).

What are the key properties of 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide?

2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide has a molecular weight of 527.29 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide is sourced from PubChem (CID 139815618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).