2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine

C15H17N5O2 — CID 132560386

IUPAC2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine
SMILESNC(N)=NCC/C=C1\NC(=O)N(/C=C/c2ccccc2)C1=O
InChIInChI=1S/C15H17N5O2/c16-14(17)18-9-4-7-12-13(21)20(15(22)19-12)10-8-11-5-2-1-3-6-11/h1-3,5-8,10H,4,9H2,(H,19,22)(H4,16,17,18)/b10-8+,12-7-
InChIKeyHGBRJJUEXPFMAJ-UNXPELAGSA-N
MW299.33 g/mol
LogP0.76
Rot. Bonds5

About 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine

2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine (PubChem CID 132560386) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine.

Molecular Properties

Compound Name2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine
PubChem CID132560386
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine
SMILESNC(N)=NCC/C=C1\NC(=O)N(/C=C/c2ccccc2)C1=O
InChIInChI=1S/C15H17N5O2/c16-14(17)18-9-4-7-12-13(21)20(15(22)19-12)10-8-11-5-2-1-3-6-11/h1-3,5-8,10H,4,9H2,(H,19,22)(H4,16,17,18)/b10-8+,12-7-
InChIKeyHGBRJJUEXPFMAJ-UNXPELAGSA-N
XLogP0.76
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.76
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine?
The IUPAC name of 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine (CID 132560386) is 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine.
What is the SMILES notation for 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine?
The canonical SMILES for 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine is NC(N)=NCC/C=C1\NC(=O)N(/C=C/c2ccccc2)C1=O.
What is the InChIKey of 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine?
The InChIKey is HGBRJJUEXPFMAJ-UNXPELAGSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-14(17)18-9-4-7-12-13(21)20(15(22)19-12)10-8-11-5-2-1-3-6-11/h1-3,5-8,10H,4,9H2,(H,19,22)(H4,16,17,18)/b10-8+,12-7-.
What are the key properties of 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine?
2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine has a molecular weight of 299.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-[2,5-dioxo-1-[(E)-2-phenylethenyl]imidazolidin-4-ylidene]propyl]guanidine is sourced from PubChem (CID 132560386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).