2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine

C15H17N5O3 — CID 75034290

IUPAC2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine
SMILESNC(N)=NCCC=C1NC(=O)N(C=Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C15H17N5O3/c16-14(17)18-8-1-2-12-13(22)20(15(23)19-12)9-7-10-3-5-11(21)6-4-10/h2-7,9,21H,1,8H2,(H,19,23)(H4,16,17,18)
InChIKeyBRHUBARRWPTWNX-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.46
Rot. Bonds5

About 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine

2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine (PubChem CID 75034290) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine
PubChem CID75034290
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine
SMILESNC(N)=NCCC=C1NC(=O)N(C=Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C15H17N5O3/c16-14(17)18-8-1-2-12-13(22)20(15(23)19-12)9-7-10-3-5-11(21)6-4-10/h2-7,9,21H,1,8H2,(H,19,23)(H4,16,17,18)
InChIKeyBRHUBARRWPTWNX-UHFFFAOYSA-N
XLogP0.46
TPSA134.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine?
The IUPAC name of 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine (CID 75034290) is 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine.
What is the SMILES notation for 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine?
The canonical SMILES for 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine is NC(N)=NCCC=C1NC(=O)N(C=Cc2ccc(O)cc2)C1=O.
What is the InChIKey of 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine?
The InChIKey is BRHUBARRWPTWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c16-14(17)18-8-1-2-12-13(22)20(15(23)19-12)9-7-10-3-5-11(21)6-4-10/h2-7,9,21H,1,8H2,(H,19,23)(H4,16,17,18).
What are the key properties of 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine?
2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine has a molecular weight of 315.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene]propyl]guanidine is sourced from PubChem (CID 75034290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).