2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide

C20H22IN3O2S — CID 111823946

IUPAC2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESCC(O)(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)c1ccsc1.I
InChIInChI=1S/C20H21N3O2S.HI/c1-20(24,15-10-11-26-13-15)14-22-19(21)23-16-6-5-9-18(12-16)25-17-7-3-2-4-8-17;/h2-13,24H,14H2,1H3,(H3,21,22,23);1H
InChIKeyQQJHBEGCTGFXJN-UHFFFAOYSA-N
MW495.39 g/mol
LogP4.79
Rot. Bonds6

About 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide

2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide (PubChem CID 111823946) has the molecular formula C20H22IN3O2S and a molecular weight of 495.39 g/mol. Its IUPAC name is 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
PubChem CID111823946
Molecular FormulaC20H22IN3O2S
Molecular Weight495.39 g/mol
Exact Mass495.05
IUPAC Name2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESCC(O)(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)c1ccsc1.I
InChIInChI=1S/C20H21N3O2S.HI/c1-20(24,15-10-11-26-13-15)14-22-19(21)23-16-6-5-9-18(12-16)25-17-7-3-2-4-8-17;/h2-13,24H,14H2,1H3,(H3,21,22,23);1H
InChIKeyQQJHBEGCTGFXJN-UHFFFAOYSA-N
XLogP4.79
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;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

2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
CID 111823533
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111823844
1-(3-phenoxyphenyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111598509
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111823940
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111823941
2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
1-(3,5-dimethylphenyl)-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111823558
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide (CID 111823946) is 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide is CC(O)(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)c1ccsc1.I.
What is the InChIKey of 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The InChIKey is QQJHBEGCTGFXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.HI/c1-20(24,15-10-11-26-13-15)14-22-19(21)23-16-6-5-9-18(12-16)25-17-7-3-2-4-8-17;/h2-13,24H,14H2,1H3,(H3,21,22,23);1H.
What are the key properties of 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide has a molecular weight of 495.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111823946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).