1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine

C14H19N5O2 — CID 111812529

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine
SMILESN/C(=N\CCc1ccccc1)NCCN1C(=O)CNC1=O
InChIInChI=1S/C14H19N5O2/c15-13(16-7-6-11-4-2-1-3-5-11)17-8-9-19-12(20)10-18-14(19)21/h1-5H,6-10H2,(H,18,21)(H3,15,16,17)
InChIKeyOVCLGJLJXHOUEW-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.31
Rot. Bonds6

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine (PubChem CID 111812529) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine
PubChem CID111812529
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine
SMILESN/C(=N\CCc1ccccc1)NCCN1C(=O)CNC1=O
InChIInChI=1S/C14H19N5O2/c15-13(16-7-6-11-4-2-1-3-5-11)17-8-9-19-12(20)10-18-14(19)21/h1-5H,6-10H2,(H,18,21)(H3,15,16,17)
InChIKeyOVCLGJLJXHOUEW-UHFFFAOYSA-N
XLogP-0.31
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.31
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'}

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Related Compounds

2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812527
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
CID 111812452
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 111829178
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122002067
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
1-(2-phenylethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039641
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111028419
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine (CID 111812529) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine is N/C(=N\CCc1ccccc1)NCCN1C(=O)CNC1=O.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine?
The InChIKey is OVCLGJLJXHOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-13(16-7-6-11-4-2-1-3-5-11)17-8-9-19-12(20)10-18-14(19)21/h1-5H,6-10H2,(H,18,21)(H3,15,16,17).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine has a molecular weight of 289.34 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 111812529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).