N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C20H24F2IN3O2 — CID 166366962

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCCOc1cc(CN(C)C2=NCC(c3ccccc3)N2)ccc1OC(F)F.I
InChIInChI=1S/C20H23F2N3O2.HI/c1-3-26-18-11-14(9-10-17(18)27-19(21)22)13-25(2)20-23-12-16(24-20)15-7-5-4-6-8-15;/h4-11,16,19H,3,12-13H2,1-2H3,(H,23,24);1H
InChIKeyQFWFYJGCQZJIBY-UHFFFAOYSA-N
MW503.33 g/mol
LogP4.44
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166366962) has the molecular formula C20H24F2IN3O2 and a molecular weight of 503.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166366962
Molecular FormulaC20H24F2IN3O2
Molecular Weight503.33 g/mol
Exact Mass503.09
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCCOc1cc(CN(C)C2=NCC(c3ccccc3)N2)ccc1OC(F)F.I
InChIInChI=1S/C20H23F2N3O2.HI/c1-3-26-18-11-14(9-10-17(18)27-19(21)22)13-25(2)20-23-12-16(24-20)15-7-5-4-6-8-15;/h4-11,16,19H,3,12-13H2,1-2H3,(H,23,24);1H
InChIKeyQFWFYJGCQZJIBY-UHFFFAOYSA-N
XLogP4.44
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166366962) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CCOc1cc(CN(C)C2=NCC(c3ccccc3)N2)ccc1OC(F)F.I.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is QFWFYJGCQZJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2.HI/c1-3-26-18-11-14(9-10-17(18)27-19(21)22)13-25(2)20-23-12-16(24-20)15-7-5-4-6-8-15;/h4-11,16,19H,3,12-13H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 503.33 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166366962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).