3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide

C15H25IN6O — CID 119159570

IUPAC3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NCc1cnc(N(C)C)n1C)N(C)Cc1ccco1.I
InChIInChI=1S/C15H24N6O.HI/c1-16-14(20(4)11-13-7-6-8-22-13)17-9-12-10-18-15(19(2)3)21(12)5;/h6-8,10H,9,11H2,1-5H3,(H,16,17);1H
InChIKeyVKCBJJDDKFMVET-UHFFFAOYSA-N
MW432.31 g/mol
LogP1.90
Rot. Bonds5

About 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide

3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide (PubChem CID 119159570) has the molecular formula C15H25IN6O and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
PubChem CID119159570
Molecular FormulaC15H25IN6O
Molecular Weight432.31 g/mol
Exact Mass432.11
IUPAC Name3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NCc1cnc(N(C)C)n1C)N(C)Cc1ccco1.I
InChIInChI=1S/C15H24N6O.HI/c1-16-14(20(4)11-13-7-6-8-22-13)17-9-12-10-18-15(19(2)3)21(12)5;/h6-8,10H,9,11H2,1-5H3,(H,16,17);1H
InChIKeyVKCBJJDDKFMVET-UHFFFAOYSA-N
XLogP1.90
TPSA61.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 111292900
2-[[N-(furan-2-ylmethyl)-N,N'-dimethylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119132289
3-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 119160127
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
1-(furan-2-ylmethyl)-1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119132284
3-[2-(furan-2-yl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422858
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine
CID 119160342
1-[1-(2-bromophenyl)ethyl]-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119159586
3-[2-(furan-2-yl)ethyl]-1,2-dimethyl-1-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111414604
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 111287908
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119159491
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 119159858

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide (CID 119159570) is 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide is C/N=C(/NCc1cnc(N(C)C)n1C)N(C)Cc1ccco1.I.
What is the InChIKey of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide?
The InChIKey is VKCBJJDDKFMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.HI/c1-16-14(20(4)11-13-7-6-8-22-13)17-9-12-10-18-15(19(2)3)21(12)5;/h6-8,10H,9,11H2,1-5H3,(H,16,17);1H.
What are the key properties of 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide?
3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 119159570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).