N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C18H21FIN3O — CID 120969603

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(OCc2cccc(F)c2)cc1.I
InChIInChI=1S/C18H20FN3O.HI/c1-22-10-9-20-18(22)21-12-14-5-7-17(8-6-14)23-13-15-3-2-4-16(19)11-15;/h2-8,11H,9-10,12-13H2,1H3,(H,20,21);1H
InChIKeyLEBUIPCSYBNGPL-UHFFFAOYSA-N
MW441.29 g/mol
LogP3.41
Rot. Bonds5

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969603) has the molecular formula C18H21FIN3O and a molecular weight of 441.29 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969603
Molecular FormulaC18H21FIN3O
Molecular Weight441.29 g/mol
Exact Mass441.07
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(OCc2cccc(F)c2)cc1.I
InChIInChI=1S/C18H20FN3O.HI/c1-22-10-9-20-18(22)21-12-14-5-7-17(8-6-14)23-13-15-3-2-4-16(19)11-15;/h2-8,11H,9-10,12-13H2,1H3,(H,20,21);1H
InChIKeyLEBUIPCSYBNGPL-UHFFFAOYSA-N
XLogP3.41
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 53.41
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

1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970707
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970488
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
2-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 120971038
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969603) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccc(OCc2cccc(F)c2)cc1.I.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is LEBUIPCSYBNGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O.HI/c1-22-10-9-20-18(22)21-12-14-5-7-17(8-6-14)23-13-15-3-2-4-16(19)11-15;/h2-8,11H,9-10,12-13H2,1H3,(H,20,21);1H.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 441.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).