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

C11H19N3O — CID 82999065

IUPAC2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one
SMILESCC(C)(C)NC1=NC(C)(C2CC2)C(=O)N1
InChIInChI=1S/C11H19N3O/c1-10(2,3)13-9-12-8(15)11(4,14-9)7-5-6-7/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyPUJVRUCNWVHXEX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.03
Rot. Bonds1

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

2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one (PubChem CID 82999065) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one
PubChem CID82999065
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one
SMILESCC(C)(C)NC1=NC(C)(C2CC2)C(=O)N1
InChIInChI=1S/C11H19N3O/c1-10(2,3)13-9-12-8(15)11(4,14-9)7-5-6-7/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyPUJVRUCNWVHXEX-UHFFFAOYSA-N
XLogP1.03
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-cyclopropyl-3,5-dimethylimidazol-4-one
CID 59388451
2-amino-4-methyl-4-(2-methylpropyl)-1H-imidazol-5-one
CID 68322355
(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
CID 163465369
2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one
CID 82996101
2-amino-4-methyl-4-(3-methylbutyl)-1H-imidazol-5-one
CID 82996117
2-amino-4-methyl-4-propyl-1H-imidazol-5-one
CID 82996988
2-amino-4-cyclopropyl-4-ethyl-1H-imidazol-5-one
CID 82997364
2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one
CID 82997479
2-amino-4-ethyl-4-(2-methylbutyl)-1H-imidazol-5-one
CID 82997852
2-amino-4,4-dipropyl-1H-imidazol-5-one
CID 82998000
4-Cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
CID 82998069
2-(tert-butylamino)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 82998200

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one (CID 82999065) is 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one is CC(C)(C)NC1=NC(C)(C2CC2)C(=O)N1.
What is the InChIKey of 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
The InChIKey is PUJVRUCNWVHXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,3)13-9-12-8(15)11(4,14-9)7-5-6-7/h7H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one has a molecular weight of 209.29 g/mol, XLogP of 1.03, 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-cyclopropyl-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82999065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).