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

C22H19F2N7O — CID 162721951

IUPACN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5=NCCN5)cc4)cn3)cc2)o1
InChIInChI=1S/C22H19F2N7O/c23-19(24)21-30-29-20(32-21)16-3-1-14(2-4-16)12-31-13-17(11-27-31)15-5-7-18(8-6-15)28-22-25-9-10-26-22/h1-8,11,13,19H,9-10,12H2,(H2,25,26,28)
InChIKeyWIJBRALFKYMWCX-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.96
Rot. Bonds6

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

N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162721951) has the molecular formula C22H19F2N7O and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-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]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162721951
Molecular FormulaC22H19F2N7O
Molecular Weight435.44 g/mol
Exact Mass435.16
IUPAC NameN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5=NCCN5)cc4)cn3)cc2)o1
InChIInChI=1S/C22H19F2N7O/c23-19(24)21-30-29-20(32-21)16-3-1-14(2-4-16)12-31-13-17(11-27-31)15-5-7-18(8-6-15)28-22-25-9-10-26-22/h1-8,11,13,19H,9-10,12H2,(H2,25,26,28)
InChIKeyWIJBRALFKYMWCX-UHFFFAOYSA-N
XLogP3.96
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-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]phenyl]methyl]pyrazol-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]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162721951) is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-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]phenyl]methyl]pyrazol-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]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5=NCCN5)cc4)cn3)cc2)o1.
What is the InChIKey of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WIJBRALFKYMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O/c23-19(24)21-30-29-20(32-21)16-3-1-14(2-4-16)12-31-13-17(11-27-31)15-5-7-18(8-6-15)28-22-25-9-10-26-22/h1-8,11,13,19H,9-10,12H2,(H2,25,26,28).
What are the key properties of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 435.44 g/mol, XLogP of 3.96, 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]phenyl]methyl]pyrazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162721951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).