N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

C22H17F4N7O — CID 162722841

About N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722841) has the molecular formula C22H17F4N7O and a molecular weight of 471.42 g/mol. Its IUPAC name is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

• Compound Name: N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
• PubChem CID: 162722841
• Molecular Formula: C22H17F4N7O
• Molecular Weight: 471.42 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
• SMILES: Fc1cc(-c2nnc(C(F)F)o2)c(F)cc1Cn1cnc(-c2ccc(NC3=NCCN3)cc2)c1
• InChI: InChI=1S/C22H17F4N7O/c23-16-8-15(20-31-32-21(34-20)19(25)26)17(24)7-13(16)9-33-10-18(29-11-33)12-1-3-14(4-2-12)30-22-27-5-6-28-22/h1-4,7-8,10-11,19H,5-6,9H2,(H2,27,28,30)
• InChIKey: GTJYUIOYNLIVPR-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 93.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.42
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?

The IUPAC name of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722841) is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

What is the SMILES notation for N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?

The canonical SMILES for N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1cc(-c2nnc(C(F)F)o2)c(F)cc1Cn1cnc(-c2ccc(NC3=NCCN3)cc2)c1.

What is the InChIKey of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?

The InChIKey is GTJYUIOYNLIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O/c23-16-8-15(20-31-32-21(34-20)19(25)26)17(24)7-13(16)9-33-10-18(29-11-33)12-1-3-14(4-2-12)30-22-27-5-6-28-22/h1-4,7-8,10-11,19H,5-6,9H2,(H2,27,28,30).

What are the key properties of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?

N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 471.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162722841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).