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

C11H21N3O — CID 82998200

IUPAC2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C11H21N3O/c1-7(2)11(6)8(15)12-9(14-11)13-10(3,4)5/h7H,1-6H3,(H2,12,13,14,15)
InChIKeyPBGWBLDIUZQVMU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.27
Rot. Bonds1

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

2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 82998200) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
PubChem CID82998200
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C11H21N3O/c1-7(2)11(6)8(15)12-9(14-11)13-10(3,4)5/h7H,1-6H3,(H2,12,13,14,15)
InChIKeyPBGWBLDIUZQVMU-UHFFFAOYSA-N
XLogP1.27
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.27
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-methyl-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one (CID 82998200) is 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one is CC(C)C1(C)N=C(NC(C)(C)C)NC1=O.
What is the InChIKey of 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is PBGWBLDIUZQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)11(6)8(15)12-9(14-11)13-10(3,4)5/h7H,1-6H3,(H2,12,13,14,15).
What are the key properties of 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 211.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 82998200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).