5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one

C20H23N3O — CID 113254024

IUPAC5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
SMILESCC(C)Cc1ccc(C2C(N)=NC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H23N3O/c1-14(2)12-15-8-10-17(11-9-15)18-19(21)22-20(24)23(18)13-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H2,21,22,24)
InChIKeyRKSSTGRHAXQNEU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.92
Rot. Bonds5

About 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one

5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one (PubChem CID 113254024) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
PubChem CID113254024
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
SMILESCC(C)Cc1ccc(C2C(N)=NC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H23N3O/c1-14(2)12-15-8-10-17(11-9-15)18-19(21)22-20(24)23(18)13-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H2,21,22,24)
InChIKeyRKSSTGRHAXQNEU-UHFFFAOYSA-N
XLogP3.92
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one (CID 113254024) is 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one is CC(C)Cc1ccc(C2C(N)=NC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one?
The InChIKey is RKSSTGRHAXQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(2)12-15-8-10-17(11-9-15)18-19(21)22-20(24)23(18)13-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H2,21,22,24).
What are the key properties of 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one?
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 113254024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).