2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide

C15H16IN3O — CID 111337650

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\C1COc2ccccc21)Nc1ccccc1
InChIInChI=1S/C15H15N3O.HI/c16-15(17-11-6-2-1-3-7-11)18-13-10-19-14-9-5-4-8-12(13)14;/h1-9,13H,10H2,(H3,16,17,18);1H
InChIKeyNKKODYHAQMVUNT-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.16
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide

2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide (PubChem CID 111337650) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide
PubChem CID111337650
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\C1COc2ccccc21)Nc1ccccc1
InChIInChI=1S/C15H15N3O.HI/c16-15(17-11-6-2-1-3-7-11)18-13-10-19-14-9-5-4-8-12(13)14;/h1-9,13H,10H2,(H3,16,17,18);1H
InChIKeyNKKODYHAQMVUNT-UHFFFAOYSA-N
XLogP3.16
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.16
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-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 110050328
2-(2,3-dihydro-1-benzofuran-3-yl)-1-(6-methylheptan-2-yl)guanidine
CID 110050348
N'-(2,3-dihydro-1-benzofuran-3-yl)thiomorpholine-4-carboximidamide
CID 86792138
ethyl 4-[[N'-(2,3-dihydro-1-benzofuran-3-yl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110050388
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
CID 94480482
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 119146886
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-phenylpropanamide
CID 62064676
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119148293
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide (CID 111337650) is 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide is I.N/C(=N\C1COc2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide?
The InChIKey is NKKODYHAQMVUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.HI/c16-15(17-11-6-2-1-3-7-11)18-13-10-19-14-9-5-4-8-12(13)14;/h1-9,13H,10H2,(H3,16,17,18);1H.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide?
2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide has a molecular weight of 381.22 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111337650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).