5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one

C9H17N3O — CID 79959728

IUPAC5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one
SMILESCCCC(C)C1C(N)=NC(=O)N1C
InChIInChI=1S/C9H17N3O/c1-4-5-6(2)7-8(10)11-9(13)12(7)3/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyZIPNLIPRVLPAPL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds3

About 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one

5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one (PubChem CID 79959728) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one
PubChem CID79959728
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one
SMILESCCCC(C)C1C(N)=NC(=O)N1C
InChIInChI=1S/C9H17N3O/c1-4-5-6(2)7-8(10)11-9(13)12(7)3/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyZIPNLIPRVLPAPL-UHFFFAOYSA-N
XLogP1.21
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one (CID 79959728) is 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one is CCCC(C)C1C(N)=NC(=O)N1C.
What is the InChIKey of 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one?
The InChIKey is ZIPNLIPRVLPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-6(2)7-8(10)11-9(13)12(7)3/h6-7H,4-5H2,1-3H3,(H2,10,11,13).
What are the key properties of 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one?
5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-pentan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79959728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).