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

C21H16F3N7O2 — CID 162721919

IUPACN-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(Cc2nc(-c3ccc(NC4=NCCN4)cc3)no2)ccc1-c1nnc(C(F)F)o1
InChIInChI=1S/C21H16F3N7O2/c22-15-9-11(1-6-14(15)19-29-30-20(32-19)17(23)24)10-16-28-18(31-33-16)12-2-4-13(5-3-12)27-21-25-7-8-26-21/h1-6,9,17H,7-8,10H2,(H2,25,26,27)
InChIKeyQIPFVAPMFZLTMR-UHFFFAOYSA-N
MW455.40 g/mol
LogP3.83
Rot. Bonds6

About N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162721919) has the molecular formula C21H16F3N7O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162721919
Molecular FormulaC21H16F3N7O2
Molecular Weight455.40 g/mol
Exact Mass455.13
IUPAC NameN-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(Cc2nc(-c3ccc(NC4=NCCN4)cc3)no2)ccc1-c1nnc(C(F)F)o1
InChIInChI=1S/C21H16F3N7O2/c22-15-9-11(1-6-14(15)19-29-30-20(32-19)17(23)24)10-16-28-18(31-33-16)12-2-4-13(5-3-12)27-21-25-7-8-26-21/h1-6,9,17H,7-8,10H2,(H2,25,26,27)
InChIKeyQIPFVAPMFZLTMR-UHFFFAOYSA-N
XLogP3.83
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
CID 162722374
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine
CID 70081115
2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
CID 162722687
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
2-[2,5-difluoro-4-[(5-isoquinolin-6-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722104
N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 3088359
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzene-1,2-diol
CID 122189976
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153635
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]tetrazol-5-yl]isoquinolin-1-amine
CID 162722641

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162721919) is N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]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]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1cc(Cc2nc(-c3ccc(NC4=NCCN4)cc3)no2)ccc1-c1nnc(C(F)F)o1.
What is the InChIKey of N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QIPFVAPMFZLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O2/c22-15-9-11(1-6-14(15)19-29-30-20(32-19)17(23)24)10-16-28-18(31-33-16)12-2-4-13(5-3-12)27-21-25-7-8-26-21/h1-6,9,17H,7-8,10H2,(H2,25,26,27).
What are the key properties of N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 455.40 g/mol, XLogP of 3.83, 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]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162721919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).