1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one

C18H19N3O2 — CID 47010755

IUPAC1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
SMILESCC(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C18H19N3O2/c1-13(17(22)21-12-11-19-18(21)23)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,23)
InChIKeyZSKHUDQNBUZYPP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one

1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one (PubChem CID 47010755) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
PubChem CID47010755
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
SMILESCC(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C18H19N3O2/c1-13(17(22)21-12-11-19-18(21)23)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,23)
InChIKeyZSKHUDQNBUZYPP-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one (CID 47010755) is 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one is CC(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one?
The InChIKey is ZSKHUDQNBUZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(17(22)21-12-11-19-18(21)23)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,23).
What are the key properties of 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one?
1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 47010755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).