1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one

C15H19N3O — CID 138388566

IUPAC1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1CC(C)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-10(11-5-3-2-4-6-11)9-13-14(16)17-15(19)18(13)12-7-8-12/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,19)
InChIKeyYPAMAQOYVUAACO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds4

About 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one

1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one (PubChem CID 138388566) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one
PubChem CID138388566
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1CC(C)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-10(11-5-3-2-4-6-11)9-13-14(16)17-15(19)18(13)12-7-8-12/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,19)
InChIKeyYPAMAQOYVUAACO-UHFFFAOYSA-N
XLogP2.71
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one (CID 138388566) is 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(C2CC2)C1CC(C)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one?
The InChIKey is YPAMAQOYVUAACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(11-5-3-2-4-6-11)9-13-14(16)17-15(19)18(13)12-7-8-12/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one?
1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138388566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).