3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine

C30H28F3N7O2 — CID 155729637

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine (PubChem CID 155729637) has the molecular formula C30H28F3N7O2 and a molecular weight of 575.60 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine
• PubChem CID: 155729637
• Molecular Formula: C30H28F3N7O2
• Molecular Weight: 575.60 g/mol
• Exact Mass: 575.23
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine
• SMILES: CN1CCCCC1.O=c1[nH]c2cc(-c3cccc4[nH]ccc34)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1
• InChI: InChI=1S/C24H15F3N6O2.C6H13N/c25-17-9-20-19(8-16(17)14-2-1-3-18-15(14)6-7-28-18)30-24(34)33(20)11-13-5-4-12(10-29-13)22-31-32-23(35-22)21(26)27;1-7-5-3-2-4-6-7/h1-10,21,28H,11H2,(H,30,34);2-6H2,1H3
• InChIKey: BFGGKSSKZBWZOR-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 108.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine (CID 155729637) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine.

What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine is CN1CCCCC1.O=c1[nH]c2cc(-c3cccc4[nH]ccc34)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1.

What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?

The InChIKey is BFGGKSSKZBWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O2.C6H13N/c25-17-9-20-19(8-16(17)14-2-1-3-18-15(14)6-7-28-18)30-24(34)33(20)11-13-5-4-12(10-29-13)22-31-32-23(35-22)21(26)27;1-7-5-3-2-4-6-7/h1-10,21,28H,11H2,(H,30,34);2-6H2,1H3.

What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine has a molecular weight of 575.60 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine is sourced from PubChem (CID 155729637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).