1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide

C14H20IN5O — CID 119163660

IUPAC1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
SMILESCOCc1ccccc1N/C(N)=N/Cc1nccn1C.I
InChIInChI=1S/C14H19N5O.HI/c1-19-8-7-16-13(19)9-17-14(15)18-12-6-4-3-5-11(12)10-20-2;/h3-8H,9-10H2,1-2H3,(H3,15,17,18);1H
InChIKeyWINPRRIGNKJPML-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide

1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide (PubChem CID 119163660) has the molecular formula C14H20IN5O and a molecular weight of 401.25 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
PubChem CID119163660
Molecular FormulaC14H20IN5O
Molecular Weight401.25 g/mol
Exact Mass401.07
IUPAC Name1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
SMILESCOCc1ccccc1N/C(N)=N/Cc1nccn1C.I
InChIInChI=1S/C14H19N5O.HI/c1-19-8-7-16-13(19)9-17-14(15)18-12-6-4-3-5-11(12)10-20-2;/h3-8H,9-10H2,1-2H3,(H3,15,17,18);1H
InChIKeyWINPRRIGNKJPML-UHFFFAOYSA-N
XLogP2.11
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119163637
1-[2-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 119163641
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119163631
1-(3,5-dimethylphenyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119121548
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
CID 120913688
2-[(1-methylimidazol-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 119121582
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
CID 119163664
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 119163658
N'-[(1-methylimidazol-2-yl)methyl]propanimidamide
CID 63293400
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928
2-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111817189

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide (CID 119163660) is 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide is COCc1ccccc1N/C(N)=N/Cc1nccn1C.I.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is WINPRRIGNKJPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.HI/c1-19-8-7-16-13(19)9-17-14(15)18-12-6-4-3-5-11(12)10-20-2;/h3-8H,9-10H2,1-2H3,(H3,15,17,18);1H.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 401.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119163660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).