1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide

C20H23ClIN3O — CID 120663259

IUPAC1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
SMILESI.N/C(=N\C1CCOc2ccccc21)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O.HI/c21-15-7-5-13(6-8-15)14-11-16(12-14)23-20(22)24-18-9-10-25-19-4-2-1-3-17(18)19;/h1-8,14,16,18H,9-12H2,(H3,22,23,24);1H
InChIKeyDYBKAKRUBDGJAN-UHFFFAOYSA-N
MW483.78 g/mol
LogP4.63
Rot. Bonds3

About 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide

1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide (PubChem CID 120663259) has the molecular formula C20H23ClIN3O and a molecular weight of 483.78 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
PubChem CID120663259
Molecular FormulaC20H23ClIN3O
Molecular Weight483.78 g/mol
Exact Mass483.06
IUPAC Name1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
SMILESI.N/C(=N\C1CCOc2ccccc21)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O.HI/c21-15-7-5-13(6-8-15)14-11-16(12-14)23-20(22)24-18-9-10-25-19-4-2-1-3-17(18)19;/h1-8,14,16,18H,9-12H2,(H3,22,23,24);1H
InChIKeyDYBKAKRUBDGJAN-UHFFFAOYSA-N
XLogP4.63
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.78
LogP ≤ 54.63
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'}

Analyze 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)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-(3,4-dihydro-2H-chromen-4-yl)-1-[3-(2-methylphenyl)cyclobutyl]guanidine
CID 120679700
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
CID 94480482
1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119148293
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111599305
2-(2-chloroprop-2-enyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119147890
1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120663283
2-[2-(4-chlorophenyl)sulfonylethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140818
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 122095961
2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide
CID 111337650
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine
CID 120762509

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide (CID 120663259) is 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide is I.N/C(=N\C1CCOc2ccccc21)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide?
The InChIKey is DYBKAKRUBDGJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O.HI/c21-15-7-5-13(6-8-15)14-11-16(12-14)23-20(22)24-18-9-10-25-19-4-2-1-3-17(18)19;/h1-8,14,16,18H,9-12H2,(H3,22,23,24);1H.
What are the key properties of 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide?
1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide has a molecular weight of 483.78 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 120663259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).