2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide

C18H20IN3O2 — CID 111818103

IUPAC2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2cc3ccccc3o2)c1.I
InChIInChI=1S/C18H19N3O2.HI/c1-22-15-7-4-6-14(12-15)21-18(19)20-10-9-16-11-13-5-2-3-8-17(13)23-16;/h2-8,11-12H,9-10H2,1H3,(H3,19,20,21);1H
InChIKeyULGGMOMGKMIVQJ-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.03
Rot. Bonds5

About 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide

2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111818103) has the molecular formula C18H20IN3O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
PubChem CID111818103
Molecular FormulaC18H20IN3O2
Molecular Weight437.28 g/mol
Exact Mass437.06
IUPAC Name2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2cc3ccccc3o2)c1.I
InChIInChI=1S/C18H19N3O2.HI/c1-22-15-7-4-6-14(12-15)21-18(19)20-10-9-16-11-13-5-2-3-8-17(13)23-16;/h2-8,11-12H,9-10H2,1H3,(H3,19,20,21);1H
InChIKeyULGGMOMGKMIVQJ-UHFFFAOYSA-N
XLogP4.03
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.03
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

2-[2-(1-benzofuran-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111818088
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111043095
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-[2-(1-benzofuran-2-yl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111818054
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975479
2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111818050
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111806731
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (CID 111818103) is 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/CCc2cc3ccccc3o2)c1.I.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is ULGGMOMGKMIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.HI/c1-22-15-7-4-6-14(12-15)21-18(19)20-10-9-16-11-13-5-2-3-8-17(13)23-16;/h2-8,11-12H,9-10H2,1H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 437.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111818103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).