5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one

C12H16N4O — CID 104824163

IUPAC5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(C)nc1
InChIInChI=1S/C12H16N4O/c1-3-6-16-10(11(13)15-12(16)17)9-5-4-8(2)14-7-9/h4-5,7,10H,3,6H2,1-2H3,(H2,13,15,17)
InChIKeyDUPZNYBZERRINT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one (PubChem CID 104824163) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
PubChem CID104824163
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(C)nc1
InChIInChI=1S/C12H16N4O/c1-3-6-16-10(11(13)15-12(16)17)9-5-4-8(2)14-7-9/h4-5,7,10H,3,6H2,1-2H3,(H2,13,15,17)
InChIKeyDUPZNYBZERRINT-UHFFFAOYSA-N
XLogP1.63
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one (CID 104824163) is 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1ccc(C)nc1.
What is the InChIKey of 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is DUPZNYBZERRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-6-16-10(11(13)15-12(16)17)9-5-4-8(2)14-7-9/h4-5,7,10H,3,6H2,1-2H3,(H2,13,15,17).
What are the key properties of 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 104824163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).