1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

C19H22IN3O — CID 75532587

IUPAC1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1cc2ccccc2o1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H21N3O.HI/c1-14(15-8-4-3-5-9-15)22-19(20-2)21-13-17-12-16-10-6-7-11-18(16)23-17;/h3-12,14H,13H2,1-2H3,(H2,20,21,22);1H
InChIKeyIARAYLRBDVABEJ-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.48
Rot. Bonds4

About 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 75532587) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID75532587
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC Name1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1cc2ccccc2o1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H21N3O.HI/c1-14(15-8-4-3-5-9-15)22-19(20-2)21-13-17-12-16-10-6-7-11-18(16)23-17;/h3-12,14H,13H2,1-2H3,(H2,20,21,22);1H
InChIKeyIARAYLRBDVABEJ-UHFFFAOYSA-N
XLogP4.48
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.48
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

1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135129
1-(1-benzofuran-2-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111247491
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
2-[[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111382894
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545893
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949905
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192181
1-(1-benzofuran-2-ylmethyl)-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945704
1-(1-benzofuran-2-ylmethyl)-2-benzyl-3-ethylguanidine;hydroiodide
CID 110952279

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 75532587) is 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(/NCc1cc2ccccc2o1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is IARAYLRBDVABEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.HI/c1-14(15-8-4-3-5-9-15)22-19(20-2)21-13-17-12-16-10-6-7-11-18(16)23-17;/h3-12,14H,13H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 435.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 75532587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).