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

C18H22IN3O — CID 120969601

IUPAC1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(OCc2ccccc2)cc1.I
InChIInChI=1S/C18H21N3O.HI/c1-21-12-11-19-18(21)20-13-15-7-9-17(10-8-15)22-14-16-5-3-2-4-6-16;/h2-10H,11-14H2,1H3,(H,19,20);1H
InChIKeyPUOMKYYINVRZRB-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.27
Rot. Bonds5

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

1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969601) has the molecular formula C18H22IN3O and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969601
Molecular FormulaC18H22IN3O
Molecular Weight423.30 g/mol
Exact Mass423.08
IUPAC Name1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(OCc2ccccc2)cc1.I
InChIInChI=1S/C18H21N3O.HI/c1-21-12-11-19-18(21)20-13-15-7-9-17(10-8-15)22-14-16-5-3-2-4-6-16;/h2-10H,11-14H2,1H3,(H,19,20);1H
InChIKeyPUOMKYYINVRZRB-UHFFFAOYSA-N
XLogP3.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.27
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-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
1-methyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969958
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970488
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 166366954
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970144

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969601) is 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccc(OCc2ccccc2)cc1.I.
What is the InChIKey of 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is PUOMKYYINVRZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.HI/c1-21-12-11-19-18(21)20-13-15-7-9-17(10-8-15)22-14-16-5-3-2-4-6-16;/h2-10H,11-14H2,1H3,(H,19,20);1H.
What are the key properties of 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).