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

C22H17F4N7O — CID 162722194

IUPACN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1c(Cn2cnc(-c3ccc(NC4=NCCN4)cc3)c2)ccc(-c2nnc(C(F)F)o2)c1F
InChIInChI=1S/C22H17F4N7O/c23-17-13(3-6-15(18(17)24)20-31-32-21(34-20)19(25)26)9-33-10-16(29-11-33)12-1-4-14(5-2-12)30-22-27-7-8-28-22/h1-6,10-11,19H,7-9H2,(H2,27,28,30)
InChIKeyXHYYCECCJNYQFD-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.24
Rot. Bonds6

About N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-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]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722194) 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]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162722194
Molecular FormulaC22H17F4N7O
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC NameN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1c(Cn2cnc(-c3ccc(NC4=NCCN4)cc3)c2)ccc(-c2nnc(C(F)F)o2)c1F
InChIInChI=1S/C22H17F4N7O/c23-17-13(3-6-15(18(17)24)20-31-32-21(34-20)19(25)26)9-33-10-16(29-11-33)12-1-4-14(5-2-12)30-22-27-7-8-28-22/h1-6,10-11,19H,7-9H2,(H2,27,28,30)
InChIKeyXHYYCECCJNYQFD-UHFFFAOYSA-N
XLogP4.24
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-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]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722194) is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-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]-2,3-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]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1c(Cn2cnc(-c3ccc(NC4=NCCN4)cc3)c2)ccc(-c2nnc(C(F)F)o2)c1F.
What is the InChIKey of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XHYYCECCJNYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O/c23-17-13(3-6-15(18(17)24)20-31-32-21(34-20)19(25)26)9-33-10-16(29-11-33)12-1-4-14(5-2-12)30-22-27-7-8-28-22/h1-6,10-11,19H,7-9H2,(H2,27,28,30).
What are the key properties of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-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]-2,3-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]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162722194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).