2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one

C20H23FN4O — CID 148652569

IUPAC2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
SMILESCCc1cc(C2(c3ccc(F)c(C)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C20H23FN4O/c1-5-15-10-14(11-16(6-2)23-15)20(18(26)25(4)19(22)24-20)13-7-8-17(21)12(3)9-13/h7-11H,5-6H2,1-4H3,(H2,22,24)
InChIKeyNMERFNHWIYAJGA-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one

2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one (PubChem CID 148652569) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
PubChem CID148652569
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
SMILESCCc1cc(C2(c3ccc(F)c(C)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C20H23FN4O/c1-5-15-10-14(11-16(6-2)23-15)20(18(26)25(4)19(22)24-20)13-7-8-17(21)12(3)9-13/h7-11H,5-6H2,1-4H3,(H2,22,24)
InChIKeyNMERFNHWIYAJGA-UHFFFAOYSA-N
XLogP2.68
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one (CID 148652569) is 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one is CCc1cc(C2(c3ccc(F)c(C)c3)N=C(N)N(C)C2=O)cc(CC)n1.
What is the InChIKey of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
The InChIKey is NMERFNHWIYAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-5-15-10-14(11-16(6-2)23-15)20(18(26)25(4)19(22)24-20)13-7-8-17(21)12(3)9-13/h7-11H,5-6H2,1-4H3,(H2,22,24).
What are the key properties of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one has a molecular weight of 354.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 148652569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).