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

C18H19N3O — CID 655768

IUPAC1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one
SMILESCc1cc(C)cc(NC2=NCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-13-8-14(2)10-16(9-13)20-18-19-11-17(22)21(18)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyXPSWZAOAUCXBHN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.11
Rot. Bonds3

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

1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one (PubChem CID 655768) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one
PubChem CID655768
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one
SMILESCc1cc(C)cc(NC2=NCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-13-8-14(2)10-16(9-13)20-18-19-11-17(22)21(18)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyXPSWZAOAUCXBHN-UHFFFAOYSA-N
XLogP3.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one?
The IUPAC name of 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one (CID 655768) is 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one is Cc1cc(C)cc(NC2=NCC(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one?
The InChIKey is XPSWZAOAUCXBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-8-14(2)10-16(9-13)20-18-19-11-17(22)21(18)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one?
1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3,5-dimethylanilino)-4H-imidazol-5-one is sourced from PubChem (CID 655768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).