4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one

C9H17N3O — CID 82407081

IUPAC4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one
SMILESCC(C)c1[nH]c(=O)n(C(C)C)c1N
InChIInChI=1S/C9H17N3O/c1-5(2)7-8(10)12(6(3)4)9(13)11-7/h5-6H,10H2,1-4H3,(H,11,13)
InChIKeyUMORXFPUTNEOGY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.46
Rot. Bonds2

About 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one

4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one (PubChem CID 82407081) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one
PubChem CID82407081
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one
SMILESCC(C)c1[nH]c(=O)n(C(C)C)c1N
InChIInChI=1S/C9H17N3O/c1-5(2)7-8(10)12(6(3)4)9(13)11-7/h5-6H,10H2,1-4H3,(H,11,13)
InChIKeyUMORXFPUTNEOGY-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one (CID 82407081) is 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one is CC(C)c1[nH]c(=O)n(C(C)C)c1N.
What is the InChIKey of 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one?
The InChIKey is UMORXFPUTNEOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5(2)7-8(10)12(6(3)4)9(13)11-7/h5-6H,10H2,1-4H3,(H,11,13).
What are the key properties of 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one?
4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-di(propan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 82407081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).