1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide

C16H24IN5O2 — CID 111812452

IUPAC1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCN1C(=O)CNC1=O.I
InChIInChI=1S/C16H23N5O2.HI/c1-3-11-6-5-7-12(4-2)14(11)20-15(17)18-8-9-21-13(22)10-19-16(21)23;/h5-7H,3-4,8-10H2,1-2H3,(H,19,23)(H3,17,18,20);1H
InChIKeyLZHCWUCUKUIAFW-UHFFFAOYSA-N
MW445.31 g/mol
LogP1.71
Rot. Bonds6

About 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide

1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111812452) has the molecular formula C16H24IN5O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111812452
Molecular FormulaC16H24IN5O2
Molecular Weight445.31 g/mol
Exact Mass445.10
IUPAC Name1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCN1C(=O)CNC1=O.I
InChIInChI=1S/C16H23N5O2.HI/c1-3-11-6-5-7-12(4-2)14(11)20-15(17)18-8-9-21-13(22)10-19-16(21)23;/h5-7H,3-4,8-10H2,1-2H3,(H,19,23)(H3,17,18,20);1H
InChIKeyLZHCWUCUKUIAFW-UHFFFAOYSA-N
XLogP1.71
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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-(2,6-diethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine;hydroiodide
CID 111074902
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
1-(2,6-diethylphenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine;hydroiodide
CID 110050296
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812489
1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111057091
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812527
1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603199
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine
CID 111812529
1-(2,6-diethylphenyl)-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111098480
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
1-(2,6-diethylphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide (CID 111812452) is 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/CCN1C(=O)CNC1=O.I.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is LZHCWUCUKUIAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.HI/c1-3-11-6-5-7-12(4-2)14(11)20-15(17)18-8-9-21-13(22)10-19-16(21)23;/h5-7H,3-4,8-10H2,1-2H3,(H,19,23)(H3,17,18,20);1H.
What are the key properties of 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide?
1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 445.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111812452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).