2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one

C20H17N5O — CID 15950666

IUPAC2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(N=C1N)(C2=CC=NC=C2)C3=CC=CC(=C3)C4=CN=CC=C4
InChIInChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24)
InChIKeyAIKOTXHNUIYVMD-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one

2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one (PubChem CID 15950666) has the molecular formula C20H17N5O and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one
PubChem CID15950666
Molecular FormulaC20H17N5O
Molecular Weight343.40 g/mol
Exact Mass343.14
IUPAC Name2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(N=C1N)(C2=CC=NC=C2)C3=CC=CC(=C3)C4=CN=CC=C4
InChIInChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24)
InChIKeyAIKOTXHNUIYVMD-UHFFFAOYSA-N
XLogP1.50
TPSA84.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity558

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one with MolForge

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Related Compounds

(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
CID 57404339
(2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One
CID 59388465
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
3-[(S)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(1S)-1-phenylethyl]benzamide
CID 168278326
3-Phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2887947
3-Methyl-2-[[2-(3-methylphenyl)-2-oxoethyl]amino]-6-pyridin-4-ylpyrimidin-4-one
CID 9923750
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
5-(3-(5-Chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4one
CID 11566309

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one?
The IUPAC name of 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one (CID 15950666) is 2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one?
The canonical SMILES for 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one is CN1C(=O)C(N=C1N)(C2=CC=NC=C2)C3=CC=CC(=C3)C4=CN=CC=C4.
What is the InChIKey of 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one?
The InChIKey is AIKOTXHNUIYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24).
What are the key properties of 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one?
2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one has a molecular weight of 343.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one is sourced from PubChem (CID 15950666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).