2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one

C16H14BrFN4O — CID 59763948

IUPAC2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
SMILESCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C16H14BrFN4O/c1-9-7-11(5-6-20-9)16(14(23)22(2)15(19)21-16)10-3-4-13(18)12(17)8-10/h3-8H,1-2H3,(H2,19,21)
InChIKeySEKKKVHCTXQQPY-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one

2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one (PubChem CID 59763948) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
PubChem CID59763948
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
SMILESCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C16H14BrFN4O/c1-9-7-11(5-6-20-9)16(14(23)22(2)15(19)21-16)10-3-4-13(18)12(17)8-10/h3-8H,1-2H3,(H2,19,21)
InChIKeySEKKKVHCTXQQPY-UHFFFAOYSA-N
XLogP2.32
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one (CID 59763948) is 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one is Cc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2=O)ccn1.
What is the InChIKey of 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
The InChIKey is SEKKKVHCTXQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c1-9-7-11(5-6-20-9)16(14(23)22(2)15(19)21-16)10-3-4-13(18)12(17)8-10/h3-8H,1-2H3,(H2,19,21).
What are the key properties of 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one has a molecular weight of 377.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromo-4-fluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one is sourced from PubChem (CID 59763948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).