2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one

C10H19N3O2 — CID 82998973

IUPAC2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
SMILESCOCC1(C)N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C10H19N3O2/c1-9(2,3)12-8-11-7(14)10(4,13-8)6-15-5/h6H2,1-5H3,(H2,11,12,13,14)
InChIKeyZEGBYKYTYGHBAL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.27
Rot. Bonds2

About 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one

2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one (PubChem CID 82998973) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
PubChem CID82998973
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
SMILESCOCC1(C)N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C10H19N3O2/c1-9(2,3)12-8-11-7(14)10(4,13-8)6-15-5/h6H2,1-5H3,(H2,11,12,13,14)
InChIKeyZEGBYKYTYGHBAL-UHFFFAOYSA-N
XLogP0.27
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one (CID 82998973) is 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one is COCC1(C)N=C(NC(C)(C)C)NC1=O.
What is the InChIKey of 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is ZEGBYKYTYGHBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9(2,3)12-8-11-7(14)10(4,13-8)6-15-5/h6H2,1-5H3,(H2,11,12,13,14).
What are the key properties of 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 213.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82998973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).