2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide

C19H20IN3O — CID 111071384

IUPAC2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1cc2ccccc2o1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H19N3O.HI/c20-19(22-16-9-8-13-5-3-6-14(13)10-16)21-12-17-11-15-4-1-2-7-18(15)23-17;/h1-2,4,7-11H,3,5-6,12H2,(H3,20,21,22);1H
InChIKeyIIFAANHQBXYOSZ-UHFFFAOYSA-N
MW433.29 g/mol
LogP4.47
Rot. Bonds3

About 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide

2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide (PubChem CID 111071384) has the molecular formula C19H20IN3O and a molecular weight of 433.29 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
PubChem CID111071384
Molecular FormulaC19H20IN3O
Molecular Weight433.29 g/mol
Exact Mass433.07
IUPAC Name2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1cc2ccccc2o1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H19N3O.HI/c20-19(22-16-9-8-13-5-3-6-14(13)10-16)21-12-17-11-15-4-1-2-7-18(15)23-17;/h1-2,4,7-11H,3,5-6,12H2,(H3,20,21,22);1H
InChIKeyIIFAANHQBXYOSZ-UHFFFAOYSA-N
XLogP4.47
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide?
The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide (CID 111071384) is 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide is I.N/C(=N\Cc1cc2ccccc2o1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide?
The InChIKey is IIFAANHQBXYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.HI/c20-19(22-16-9-8-13-5-3-6-14(13)10-16)21-12-17-11-15-4-1-2-7-18(15)23-17;/h1-2,4,7-11H,3,5-6,12H2,(H3,20,21,22);1H.
What are the key properties of 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide?
2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide has a molecular weight of 433.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide is sourced from PubChem (CID 111071384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).