2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one

C12H23N3O — CID 82999049

IUPAC2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one
SMILESCCCC(C)C1N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C12H23N3O/c1-6-7-8(2)9-10(16)14-11(13-9)15-12(3,4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyVLFBHFQXRWPJLF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.67
Rot. Bonds3

About 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one

2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 82999049) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID82999049
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one
SMILESCCCC(C)C1N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C12H23N3O/c1-6-7-8(2)9-10(16)14-11(13-9)15-12(3,4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyVLFBHFQXRWPJLF-UHFFFAOYSA-N
XLogP1.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.67
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-pentan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one (CID 82999049) is 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one is CCCC(C)C1N=C(NC(C)(C)C)NC1=O.
What is the InChIKey of 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is VLFBHFQXRWPJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-7-8(2)9-10(16)14-11(13-9)15-12(3,4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one?
2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 225.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-pentan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).