3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one

C9H17N3O — CID 82407084

IUPAC3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CC(C)(C)N)c1C
InChIInChI=1S/C9H17N3O/c1-6-7(2)12(8(13)11-6)5-9(3,4)10/h5,10H2,1-4H3,(H,11,13)
InChIKeyROSZATITUTXKQA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.53
Rot. Bonds2

About 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one

3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 82407084) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one
PubChem CID82407084
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CC(C)(C)N)c1C
InChIInChI=1S/C9H17N3O/c1-6-7(2)12(8(13)11-6)5-9(3,4)10/h5,10H2,1-4H3,(H,11,13)
InChIKeyROSZATITUTXKQA-UHFFFAOYSA-N
XLogP0.53
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one (CID 82407084) is 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(CC(C)(C)N)c1C.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is ROSZATITUTXKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6-7(2)12(8(13)11-6)5-9(3,4)10/h5,10H2,1-4H3,(H,11,13).
What are the key properties of 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one?
3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 82407084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).