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

C21H18FN7O2 — CID 168679616

IUPACN-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFCc1nnc(-c2ccc(Cc3nc(-c4ccc(NC5=NCCN5)cc4)no3)cc2)o1
InChIInChI=1S/C21H18FN7O2/c22-12-18-27-28-20(30-18)15-3-1-13(2-4-15)11-17-26-19(29-31-17)14-5-7-16(8-6-14)25-21-23-9-10-24-21/h1-8H,9-12H2,(H2,23,24,25)
InChIKeyBNSBBGDKYNKNIR-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.22
Rot. Bonds6

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

N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 168679616) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID168679616
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC NameN-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFCc1nnc(-c2ccc(Cc3nc(-c4ccc(NC5=NCCN5)cc4)no3)cc2)o1
InChIInChI=1S/C21H18FN7O2/c22-12-18-27-28-20(30-18)15-3-1-13(2-4-15)11-17-26-19(29-31-17)14-5-7-16(8-6-14)25-21-23-9-10-24-21/h1-8H,9-12H2,(H2,23,24,25)
InChIKeyBNSBBGDKYNKNIR-UHFFFAOYSA-N
XLogP3.22
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-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-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 168679616) is N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is FCc1nnc(-c2ccc(Cc3nc(-c4ccc(NC5=NCCN5)cc4)no3)cc2)o1.
What is the InChIKey of N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BNSBBGDKYNKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c22-12-18-27-28-20(30-18)15-3-1-13(2-4-15)11-17-26-19(29-31-17)14-5-7-16(8-6-14)25-21-23-9-10-24-21/h1-8H,9-12H2,(H2,23,24,25).
What are the key properties of N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 419.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 168679616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).