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

C11H13BrN4O — CID 113469934

IUPAC5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cncc(Br)c1
InChIInChI=1S/C11H13BrN4O/c1-2-3-16-9(10(13)15-11(16)17)7-4-8(12)6-14-5-7/h4-6,9H,2-3H2,1H3,(H2,13,15,17)
InChIKeyFGVKCCCINWOJJG-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.09
Rot. Bonds3

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

5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one (PubChem CID 113469934) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one
PubChem CID113469934
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cncc(Br)c1
InChIInChI=1S/C11H13BrN4O/c1-2-3-16-9(10(13)15-11(16)17)7-4-8(12)6-14-5-7/h4-6,9H,2-3H2,1H3,(H2,13,15,17)
InChIKeyFGVKCCCINWOJJG-UHFFFAOYSA-N
XLogP2.09
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one (CID 113469934) is 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cncc(Br)c1.
What is the InChIKey of 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is FGVKCCCINWOJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-3-16-9(10(13)15-11(16)17)7-4-8(12)6-14-5-7/h4-6,9H,2-3H2,1H3,(H2,13,15,17).
What are the key properties of 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 297.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 113469934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).