2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide

C17H20IN3O2 — CID 110937239

IUPAC2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc2ccccc2o1)NCc1ccco1.I
InChIInChI=1S/C17H19N3O2.HI/c1-2-18-17(19-11-14-7-5-9-21-14)20-12-15-10-13-6-3-4-8-16(13)22-15;/h3-10H,2,11-12H2,1H3,(H2,18,19,20);1H
InChIKeyRURYVYHNETUGIR-UHFFFAOYSA-N
MW425.27 g/mol
LogP3.90
Rot. Bonds5

About 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide

2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110937239) has the molecular formula C17H20IN3O2 and a molecular weight of 425.27 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
PubChem CID110937239
Molecular FormulaC17H20IN3O2
Molecular Weight425.27 g/mol
Exact Mass425.06
IUPAC Name2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc2ccccc2o1)NCc1ccco1.I
InChIInChI=1S/C17H19N3O2.HI/c1-2-18-17(19-11-14-7-5-9-21-14)20-12-15-10-13-6-3-4-8-16(13)22-15;/h3-10H,2,11-12H2,1H3,(H2,18,19,20);1H
InChIKeyRURYVYHNETUGIR-UHFFFAOYSA-N
XLogP3.90
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-(1-benzofuran-2-ylmethyl)-2-benzyl-3-ethylguanidine;hydroiodide
CID 110952279
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110979840
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 110938971
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
CID 110938972
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712062
1-(1-benzofuran-2-ylmethyl)-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377288
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938023
1-(1-benzofuran-2-ylmethyl)-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850980
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine
CID 111712063
1-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938785
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187861

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide (CID 110937239) is 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1cc2ccccc2o1)NCc1ccco1.I.
What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is RURYVYHNETUGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.HI/c1-2-18-17(19-11-14-7-5-9-21-14)20-12-15-10-13-6-3-4-8-16(13)22-15;/h3-10H,2,11-12H2,1H3,(H2,18,19,20);1H.
What are the key properties of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide?
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 425.27 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110937239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).