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

C22H18F3N7O — CID 162722653

IUPACN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(Cn2cnc(-c3ccc(NC4=NCCN4)cc3)c2)ccc1-c1nnc(C(F)F)o1
InChIInChI=1S/C22H18F3N7O/c23-17-9-13(1-6-16(17)20-30-31-21(33-20)19(24)25)10-32-11-18(28-12-32)14-2-4-15(5-3-14)29-22-26-7-8-27-22/h1-6,9,11-12,19H,7-8,10H2,(H2,26,27,29)
InChIKeyPKUVTJIVUFVFIG-UHFFFAOYSA-N
MW453.43 g/mol
LogP4.10
Rot. Bonds6

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

N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722653) has the molecular formula C22H18F3N7O and a molecular weight of 453.43 g/mol. Its IUPAC name is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162722653
Molecular FormulaC22H18F3N7O
Molecular Weight453.43 g/mol
Exact Mass453.15
IUPAC NameN-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(Cn2cnc(-c3ccc(NC4=NCCN4)cc3)c2)ccc1-c1nnc(C(F)F)o1
InChIInChI=1S/C22H18F3N7O/c23-17-9-13(1-6-16(17)20-30-31-21(33-20)19(24)25)10-32-11-18(28-12-32)14-2-4-15(5-3-14)29-22-26-7-8-27-22/h1-6,9,11-12,19H,7-8,10H2,(H2,26,27,29)
InChIKeyPKUVTJIVUFVFIG-UHFFFAOYSA-N
XLogP4.10
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]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]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722653) is N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]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]-3-fluorophenyl]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]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1cc(Cn2cnc(-c3ccc(NC4=NCCN4)cc3)c2)ccc1-c1nnc(C(F)F)o1.
What is the InChIKey of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PKUVTJIVUFVFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O/c23-17-9-13(1-6-16(17)20-30-31-21(33-20)19(24)25)10-32-11-18(28-12-32)14-2-4-15(5-3-14)29-22-26-7-8-27-22/h1-6,9,11-12,19H,7-8,10H2,(H2,26,27,29).
What are the key properties of N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 453.43 g/mol, XLogP of 4.10, 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]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162722653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).