N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine

C21H15F2N7O — CID 156539218

About N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine

N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine (PubChem CID 156539218) has the molecular formula C21H15F2N7O and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine.

Molecular Properties

• Compound Name: N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine
• PubChem CID: 156539218
• Molecular Formula: C21H15F2N7O
• Molecular Weight: 419.40 g/mol
• Exact Mass: 419.13
• IUPAC Name: N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine
• SMILES: Cn1cnc2c(-c3ccccc3)cc(Nc3ncc(-c4nnc(C(F)F)o4)cn3)cc21
• InChI: InChI=1S/C21H15F2N7O/c1-30-11-26-17-15(12-5-3-2-4-6-12)7-14(8-16(17)30)27-21-24-9-13(10-25-21)19-28-29-20(31-19)18(22)23/h2-11,18H,1H3,(H,24,25,27)
• InChIKey: ORHLVNGPICVWDE-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.40
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine?

The IUPAC name of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine (CID 156539218) is N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine.

What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine?

The canonical SMILES for N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine is Cn1cnc2c(-c3ccccc3)cc(Nc3ncc(-c4nnc(C(F)F)o4)cn3)cc21.

What is the InChIKey of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine?

The InChIKey is ORHLVNGPICVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7O/c1-30-11-26-17-15(12-5-3-2-4-6-12)7-14(8-16(17)30)27-21-24-9-13(10-25-21)19-28-29-20(31-19)18(22)23/h2-11,18H,1H3,(H,24,25,27).

What are the key properties of N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine?

N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine has a molecular weight of 419.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine is sourced from PubChem (CID 156539218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).