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

C21H17F2N7O2 — CID 162722465

IUPACN-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cc3nc(-c4ccc(NC5=NCCN5)cc4)no3)cc2)o1
InChIInChI=1S/C21H17F2N7O2/c22-17(23)20-29-28-19(31-20)14-3-1-12(2-4-14)11-16-27-18(30-32-16)13-5-7-15(8-6-13)26-21-24-9-10-25-21/h1-8,17H,9-11H2,(H2,24,25,26)
InChIKeyCMWSDJDVEKXCQB-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.69
Rot. Bonds6

About N-[4-[5-[[4-[5-(difluoromethyl)-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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722465) has the molecular formula C21H17F2N7O2 and a molecular weight of 437.41 g/mol. Its IUPAC name is N-[4-[5-[[4-[5-(difluoromethyl)-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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162722465
Molecular FormulaC21H17F2N7O2
Molecular Weight437.41 g/mol
Exact Mass437.14
IUPAC NameN-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cc3nc(-c4ccc(NC5=NCCN5)cc4)no3)cc2)o1
InChIInChI=1S/C21H17F2N7O2/c22-17(23)20-29-28-19(31-20)14-3-1-12(2-4-14)11-16-27-18(30-32-16)13-5-7-15(8-6-13)26-21-24-9-10-25-21/h1-8,17H,9-11H2,(H2,24,25,26)
InChIKeyCMWSDJDVEKXCQB-UHFFFAOYSA-N
XLogP3.69
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-[[4-[5-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722465) is N-[4-[5-[[4-[5-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)c1nnc(-c2ccc(Cc3nc(-c4ccc(NC5=NCCN5)cc4)no3)cc2)o1.
What is the InChIKey of N-[4-[5-[[4-[5-(difluoromethyl)-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 CMWSDJDVEKXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O2/c22-17(23)20-29-28-19(31-20)14-3-1-12(2-4-14)11-16-27-18(30-32-16)13-5-7-15(8-6-13)26-21-24-9-10-25-21/h1-8,17H,9-11H2,(H2,24,25,26).
What are the key properties of N-[4-[5-[[4-[5-(difluoromethyl)-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-(difluoromethyl)-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 437.41 g/mol, XLogP of 3.69, 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-(difluoromethyl)-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 162722465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).