2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one

C18H19N3O — CID 1454452

IUPAC2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one
SMILESCc1cccc(NC2=NCC(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-14-6-5-9-16(12-14)20-18-19-13-17(22)21(18)11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,19,20)
InChIKeyXDOXNVNICLPTQR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.85
Rot. Bonds4

About 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one

2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one (PubChem CID 1454452) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one
PubChem CID1454452
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one
SMILESCc1cccc(NC2=NCC(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-14-6-5-9-16(12-14)20-18-19-13-17(22)21(18)11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,19,20)
InChIKeyXDOXNVNICLPTQR-UHFFFAOYSA-N
XLogP2.85
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
The IUPAC name of 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one (CID 1454452) is 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
The canonical SMILES for 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one is Cc1cccc(NC2=NCC(=O)N2CCc2ccccc2)c1.
What is the InChIKey of 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
The InChIKey is XDOXNVNICLPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-6-5-9-16(12-14)20-18-19-13-17(22)21(18)11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,19,20).
What are the key properties of 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one has a molecular weight of 293.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one is sourced from PubChem (CID 1454452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).