2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C21H19N5O — CID 15950595

IUPAC2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25)
InChIKeyDCYJRONKTIQNEU-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one

2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 15950595) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID15950595
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25)
InChIKeyDCYJRONKTIQNEU-UHFFFAOYSA-N
XLogP2.48
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 15950595) is 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one is Cc1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)ccn1.
What is the InChIKey of 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is DCYJRONKTIQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25).
What are the key properties of 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 357.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(2-methyl-4-pyridinyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 15950595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).