2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one

C16H23N3O — CID 82998272

IUPAC2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)c1ccc(C2N=C(NC(C)(C)C)NC2=O)cc1
InChIInChI=1S/C16H23N3O/c1-10(2)11-6-8-12(9-7-11)13-14(20)18-15(17-13)19-16(3,4)5/h6-10,13H,1-5H3,(H2,17,18,19,20)
InChIKeyWGAISOBEBYHIHY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds2

About 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one

2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82998272) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
PubChem CID82998272
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)c1ccc(C2N=C(NC(C)(C)C)NC2=O)cc1
InChIInChI=1S/C16H23N3O/c1-10(2)11-6-8-12(9-7-11)13-14(20)18-15(17-13)19-16(3,4)5/h6-10,13H,1-5H3,(H2,17,18,19,20)
InChIKeyWGAISOBEBYHIHY-UHFFFAOYSA-N
XLogP2.72
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one (CID 82998272) is 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one is CC(C)c1ccc(C2N=C(NC(C)(C)C)NC2=O)cc1.
What is the InChIKey of 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is WGAISOBEBYHIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)11-6-8-12(9-7-11)13-14(20)18-15(17-13)19-16(3,4)5/h6-10,13H,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 273.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).