2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine

C18H27N5O2 — CID 111804185

IUPAC2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCCN2C(=O)NC(C)(CC)C2=O)c1
InChIInChI=1S/C18H27N5O2/c1-4-13-8-6-9-14(12-13)21-16(19)20-10-7-11-23-15(24)18(3,5-2)22-17(23)25/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,22,25)(H3,19,20,21)
InChIKeyXOUIKBRUDZYUDD-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.09
Rot. Bonds7

About 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine

2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111804185) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine
PubChem CID111804185
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCCN2C(=O)NC(C)(CC)C2=O)c1
InChIInChI=1S/C18H27N5O2/c1-4-13-8-6-9-14(12-13)21-16(19)20-10-7-11-23-15(24)18(3,5-2)22-17(23)25/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,22,25)(H3,19,20,21)
InChIKeyXOUIKBRUDZYUDD-UHFFFAOYSA-N
XLogP2.09
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(3-ethylphenyl)guanidine
CID 111810636
1-(3-ethylphenyl)-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine;hydroiodide
CID 111818991
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111804193
methyl 5-[[amino-(3-ethylanilino)methylidene]amino]pentanoate
CID 111086133
1-benzyl-3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-methylguanidine
CID 111546097
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
CID 111121565
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-benzyl-3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-methylguanidine;hydroiodide
CID 111546096
1-(3-ethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine
CID 110029222
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
1-(3-ethylphenyl)-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111822170

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine (CID 111804185) is 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/CCCN2C(=O)NC(C)(CC)C2=O)c1.
What is the InChIKey of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is XOUIKBRUDZYUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-13-8-6-9-14(12-13)21-16(19)20-10-7-11-23-15(24)18(3,5-2)22-17(23)25/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,22,25)(H3,19,20,21).
What are the key properties of 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine?
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 345.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111804185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).