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

C19H21N3O — CID 1454456

IUPAC2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one
SMILESCc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1C
InChIInChI=1S/C19H21N3O/c1-14-8-9-17(12-15(14)2)21-19-20-13-18(23)22(19)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyALXORZLHFWUYQC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.16
Rot. Bonds4

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

2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one (PubChem CID 1454456) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one
PubChem CID1454456
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one
SMILESCc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1C
InChIInChI=1S/C19H21N3O/c1-14-8-9-17(12-15(14)2)21-19-20-13-18(23)22(19)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyALXORZLHFWUYQC-UHFFFAOYSA-N
XLogP3.16
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
The IUPAC name of 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one (CID 1454456) is 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
The canonical SMILES for 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one is Cc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
The InChIKey is ALXORZLHFWUYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-8-9-17(12-15(14)2)21-19-20-13-18(23)22(19)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one?
2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one has a molecular weight of 307.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one is sourced from PubChem (CID 1454456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).