2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one

C14H19N3O — CID 82997227

IUPAC2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one
SMILESCC(C)(C)c1ccc(C2(C)N=C(N)NC2=O)cc1
InChIInChI=1S/C14H19N3O/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(18)16-12(15)17-14/h5-8H,1-4H3,(H3,15,16,17,18)
InChIKeyNKHLQGFHRLLVKZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.64
Rot. Bonds1

About 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one

2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one (PubChem CID 82997227) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one
PubChem CID82997227
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one
SMILESCC(C)(C)c1ccc(C2(C)N=C(N)NC2=O)cc1
InChIInChI=1S/C14H19N3O/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(18)16-12(15)17-14/h5-8H,1-4H3,(H3,15,16,17,18)
InChIKeyNKHLQGFHRLLVKZ-UHFFFAOYSA-N
XLogP1.64
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one (CID 82997227) is 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one is CC(C)(C)c1ccc(C2(C)N=C(N)NC2=O)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is NKHLQGFHRLLVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(18)16-12(15)17-14/h5-8H,1-4H3,(H3,15,16,17,18).
What are the key properties of 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one?
2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 245.33 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82997227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).