2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione

C17H16ClN3O2 — CID 23645361

IUPAC2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)c2c1nc(/C=C/c1cccc(Cl)c1)n2C
InChIInChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+
InChIKeySGHZGTKRNQIIHB-BQYQJAHWSA-N
MW329.79 g/mol
LogP2.96
Rot. Bonds2

About 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione

2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione (PubChem CID 23645361) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione.

Molecular Properties

Compound Name2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione
PubChem CID23645361
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)c2c1nc(/C=C/c1cccc(Cl)c1)n2C
InChIInChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+
InChIKeySGHZGTKRNQIIHB-BQYQJAHWSA-N
XLogP2.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione with MolForge

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Related Compounds

8-(3-Chlorostyryl)caffeine
CID 5353365
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
CID 6448756
8-[(Benzyl-methyl-amino)-methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione
CID 651947
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
CID 662859
7-(4-chlorobenzyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CID 986261
7-(2-chlorobenzyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CID 3156041
8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-dimethyl-7-(111C)methylpurine-2,6-dione
CID 5462118
(E)-8-(3,4-Dichlorostyryl)caffeine (4b)
CID 16745297
(E,E)-8-[4-(3-Chlorophenyl)butadien-1-yl]caffeine
CID 44579960
8-(13-Chlorostyryl) caffeine
CID 71717928
8-{[benzyl(methyl)amino]methyl}-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 662943
7-[(4-Chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethylpurine-2,6-dione
CID 796599

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione?
The IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione (CID 23645361) is 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione.
What is the SMILES notation for 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione?
The canonical SMILES for 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione is CC1C(=O)N(C)C(=O)c2c1nc(/C=C/c1cccc(Cl)c1)n2C.
What is the InChIKey of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione?
The InChIKey is SGHZGTKRNQIIHB-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-14-15(17(23)21(3)16(10)22)20(2)13(19-14)8-7-11-5-4-6-12(18)9-11/h4-10H,1-3H3/b8-7+.
What are the key properties of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione?
2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione has a molecular weight of 329.79 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-7H-imidazo[4,5-c]pyridine-4,6-dione is sourced from PubChem (CID 23645361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).