1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide

C16H20Cl2IN5 — CID 110953157

IUPAC1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCNc1ncc(Cl)cc1Cl)NCc1ccccc1.I
InChIInChI=1S/C16H19Cl2N5.HI/c1-19-16(23-10-12-5-3-2-4-6-12)21-8-7-20-15-14(18)9-13(17)11-22-15;/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)(H2,19,21,23);1H
InChIKeyVITFCWFWYVBLLV-UHFFFAOYSA-N
MW480.18 g/mol
LogP3.78
Rot. Bonds6

About 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide

1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide (PubChem CID 110953157) has the molecular formula C16H20Cl2IN5 and a molecular weight of 480.18 g/mol. Its IUPAC name is 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide
PubChem CID110953157
Molecular FormulaC16H20Cl2IN5
Molecular Weight480.18 g/mol
Exact Mass479.01
IUPAC Name1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCNc1ncc(Cl)cc1Cl)NCc1ccccc1.I
InChIInChI=1S/C16H19Cl2N5.HI/c1-19-16(23-10-12-5-3-2-4-6-12)21-8-7-20-15-14(18)9-13(17)11-22-15;/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)(H2,19,21,23);1H
InChIKeyVITFCWFWYVBLLV-UHFFFAOYSA-N
XLogP3.78
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.18
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969023
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969024
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191174
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111953140
1-[3-(cyclopropylmethoxy)propyl]-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111391438
1-benzyl-3-[(2-chlorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110953529
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969026
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135298
N-benzyl-3-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111175520
1-[(6-chloro-3-pyridinyl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111199204
1-benzyl-3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 110952824
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide (CID 110953157) is 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide is C/N=C(/NCCNc1ncc(Cl)cc1Cl)NCc1ccccc1.I.
What is the InChIKey of 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is VITFCWFWYVBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5.HI/c1-19-16(23-10-12-5-3-2-4-6-12)21-8-7-20-15-14(18)9-13(17)11-22-15;/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)(H2,19,21,23);1H.
What are the key properties of 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide?
1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 480.18 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110953157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).