2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one

C19H21N3O — CID 619507

IUPAC2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one
SMILESCC(C)(C)N1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C19H21N3O/c1-18(2,3)22-16(23)19(21-17(22)20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,20,21)
InChIKeyKSYIRRMUIPTGLW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one

2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one (PubChem CID 619507) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one
PubChem CID619507
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one
SMILESCC(C)(C)N1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C19H21N3O/c1-18(2,3)22-16(23)19(21-17(22)20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,20,21)
InChIKeyKSYIRRMUIPTGLW-UHFFFAOYSA-N
XLogP2.89
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one (CID 619507) is 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one is CC(C)(C)N1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one?
The InChIKey is KSYIRRMUIPTGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-18(2,3)22-16(23)19(21-17(22)20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,20,21).
What are the key properties of 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one?
2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one has a molecular weight of 307.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-tert-butyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 619507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).