N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C14H20F2IN3O — CID 120973002

IUPACN-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(C)(C)Oc1cc(F)cc(F)c1.I
InChIInChI=1S/C14H19F2N3O.HI/c1-14(2,9-18-13-17-4-5-19(13)3)20-12-7-10(15)6-11(16)8-12;/h6-8H,4-5,9H2,1-3H3,(H,17,18);1H
InChIKeyQERJMLDRHXFIAS-UHFFFAOYSA-N
MW411.23 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120973002) has the molecular formula C14H20F2IN3O and a molecular weight of 411.23 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120973002
Molecular FormulaC14H20F2IN3O
Molecular Weight411.23 g/mol
Exact Mass411.06
IUPAC NameN-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(C)(C)Oc1cc(F)cc(F)c1.I
InChIInChI=1S/C14H19F2N3O.HI/c1-14(2,9-18-13-17-4-5-19(13)3)20-12-7-10(15)6-11(16)8-12;/h6-8H,4-5,9H2,1-3H3,(H,17,18);1H
InChIKeyQERJMLDRHXFIAS-UHFFFAOYSA-N
XLogP2.63
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970800
N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970142
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970707
1-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 120970611
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 126979416
1-[[2-(3,5-difluorophenoxy)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122013884

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120973002) is N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC(C)(C)Oc1cc(F)cc(F)c1.I.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is QERJMLDRHXFIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O.HI/c1-14(2,9-18-13-17-4-5-19(13)3)20-12-7-10(15)6-11(16)8-12;/h6-8H,4-5,9H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 411.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120973002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).