2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide

C19H22IN3O — CID 111818113

IUPAC2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1cc2ccccc2o1)NCCc1ccccc1
InChIInChI=1S/C19H21N3O.HI/c20-19(21-12-10-15-6-2-1-3-7-15)22-13-11-17-14-16-8-4-5-9-18(16)23-17;/h1-9,14H,10-13H2,(H3,20,21,22);1H
InChIKeyMIKUFKBSECJQHM-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.74
Rot. Bonds6

About 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide

2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111818113) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111818113
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC Name2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1cc2ccccc2o1)NCCc1ccccc1
InChIInChI=1S/C19H21N3O.HI/c20-19(21-12-10-15-6-2-1-3-7-15)22-13-11-17-14-16-8-4-5-9-18(16)23-17;/h1-9,14H,10-13H2,(H3,20,21,22);1H
InChIKeyMIKUFKBSECJQHM-UHFFFAOYSA-N
XLogP3.74
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.74
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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Related Compounds

2-[2-(1-benzofuran-2-yl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111818054
1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111818046
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135129
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111818088
1-[2-(1-benzofuran-2-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111818100
2-(1-benzofuran-2-ylmethyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111071333
2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111818050
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111818103
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
1-(1-benzofuran-2-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111213730

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide (CID 111818113) is 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide is I.N/C(=N\CCc1cc2ccccc2o1)NCCc1ccccc1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is MIKUFKBSECJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.HI/c20-19(21-12-10-15-6-2-1-3-7-15)22-13-11-17-14-16-8-4-5-9-18(16)23-17;/h1-9,14H,10-13H2,(H3,20,21,22);1H.
What are the key properties of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 435.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111818113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).