2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one

C19H20BrFN4O — CID 59834558

IUPAC2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one
SMILESCCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C19H20BrFN4O/c1-4-13-8-12(9-14(5-2)23-13)19(17(26)25(3)18(22)24-19)11-6-7-16(21)15(20)10-11/h6-10H,4-5H2,1-3H3,(H2,22,24)
InChIKeyZENVKRCCKFSXMW-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.14
Rot. Bonds4

About 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one

2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one (PubChem CID 59834558) has the molecular formula C19H20BrFN4O and a molecular weight of 419.30 g/mol. Its IUPAC name is 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one
PubChem CID59834558
Molecular FormulaC19H20BrFN4O
Molecular Weight419.30 g/mol
Exact Mass418.08
IUPAC Name2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one
SMILESCCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C19H20BrFN4O/c1-4-13-8-12(9-14(5-2)23-13)19(17(26)25(3)18(22)24-19)11-6-7-16(21)15(20)10-11/h6-10H,4-5H2,1-3H3,(H2,22,24)
InChIKeyZENVKRCCKFSXMW-UHFFFAOYSA-N
XLogP3.14
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.14
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)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one (CID 59834558) is 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one is CCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2=O)cc(CC)n1.
What is the InChIKey of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one?
The InChIKey is ZENVKRCCKFSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN4O/c1-4-13-8-12(9-14(5-2)23-13)19(17(26)25(3)18(22)24-19)11-6-7-16(21)15(20)10-11/h6-10H,4-5H2,1-3H3,(H2,22,24).
What are the key properties of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one?
2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one has a molecular weight of 419.30 g/mol, XLogP of 3.14, 4 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)-5-(2,6-diethyl-4-pyridinyl)-3-methylimidazol-4-one is sourced from PubChem (CID 59834558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).