2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one

C14H19BrN4O — CID 135929399

IUPAC2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one
SMILESCc1cc(Br)cnc1CCCC/N=C1\NC(=O)CN1C
InChIInChI=1S/C14H19BrN4O/c1-10-7-11(15)8-17-12(10)5-3-4-6-16-14-18-13(20)9-19(14)2/h7-8H,3-6,9H2,1-2H3,(H,16,18,20)
InChIKeyAHYODIOAWGEOML-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one

2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one (PubChem CID 135929399) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one
PubChem CID135929399
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one
SMILESCc1cc(Br)cnc1CCCC/N=C1\NC(=O)CN1C
InChIInChI=1S/C14H19BrN4O/c1-10-7-11(15)8-17-12(10)5-3-4-6-16-14-18-13(20)9-19(14)2/h7-8H,3-6,9H2,1-2H3,(H,16,18,20)
InChIKeyAHYODIOAWGEOML-UHFFFAOYSA-N
XLogP1.89
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one?
The IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one (CID 135929399) is 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one.
What is the SMILES notation for 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one?
The canonical SMILES for 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one is Cc1cc(Br)cnc1CCCC/N=C1\NC(=O)CN1C.
What is the InChIKey of 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one?
The InChIKey is AHYODIOAWGEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-10-7-11(15)8-17-12(10)5-3-4-6-16-14-18-13(20)9-19(14)2/h7-8H,3-6,9H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one?
2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one has a molecular weight of 339.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylimino]-1-methylimidazolidin-4-one is sourced from PubChem (CID 135929399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).