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

C11H11BrN4O — CID 113394154

IUPAC5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c12-6-1-4-8(14-5-6)9-10(13)15-11(17)16(9)7-2-3-7/h1,4-5,7,9H,2-3H2,(H2,13,15,17)
InChIKeySTOHVJUUHSPBAB-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.84
Rot. Bonds2

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

5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one (PubChem CID 113394154) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one
PubChem CID113394154
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c12-6-1-4-8(14-5-6)9-10(13)15-11(17)16(9)7-2-3-7/h1,4-5,7,9H,2-3H2,(H2,13,15,17)
InChIKeySTOHVJUUHSPBAB-UHFFFAOYSA-N
XLogP1.84
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.84
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-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one (CID 113394154) is 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1ccc(Br)cn1.
What is the InChIKey of 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one?
The InChIKey is STOHVJUUHSPBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-6-1-4-8(14-5-6)9-10(13)15-11(17)16(9)7-2-3-7/h1,4-5,7,9H,2-3H2,(H2,13,15,17).
What are the key properties of 5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one?
5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.84, 2 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-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one is sourced from PubChem (CID 113394154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).