5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride

C27H25Cl2N7O2 — CID 160500938

IUPAC5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride
SMILESCc1ccc(-c2cn(CN3C(=O)c4ccccc4C3=O)cn2)cn1.Cc1ccc(-c2cnc[nH]2)cn1.Cl.Cl
InChIInChI=1S/C18H14N4O2.C9H9N3.2ClH/c1-12-6-7-13(8-19-12)16-9-21(10-20-16)11-22-17(23)14-4-2-3-5-15(14)18(22)24;1-7-2-3-8(4-11-7)9-5-10-6-12-9;;/h2-10H,11H2,1H3;2-6H,1H3,(H,10,12);2*1H
InChIKeyLBEBIIAPOHJREC-UHFFFAOYSA-N
MW550.45 g/mol
LogP5.13
Rot. Bonds4

About 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride

5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride (PubChem CID 160500938) has the molecular formula C27H25Cl2N7O2 and a molecular weight of 550.45 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride
PubChem CID160500938
Molecular FormulaC27H25Cl2N7O2
Molecular Weight550.45 g/mol
Exact Mass549.14
IUPAC Name5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride
SMILESCc1ccc(-c2cn(CN3C(=O)c4ccccc4C3=O)cn2)cn1.Cc1ccc(-c2cnc[nH]2)cn1.Cl.Cl
InChIInChI=1S/C18H14N4O2.C9H9N3.2ClH/c1-12-6-7-13(8-19-12)16-9-21(10-20-16)11-22-17(23)14-4-2-3-5-15(14)18(22)24;1-7-2-3-8(4-11-7)9-5-10-6-12-9;;/h2-10H,11H2,1H3;2-6H,1H3,(H,10,12);2*1H
InChIKeyLBEBIIAPOHJREC-UHFFFAOYSA-N
XLogP5.13
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride with MolForge

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Related Compounds

5-(1H-imidazol-5-yl)-2-methylpyridine
CID 11586339
1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole
CID 158259756
6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
5-(1H-imidazol-5-yl)-2-methylpyrimidine
CID 89187650
2'-(1H-imidazol-5-yl)-5'-methyl-9'-(2-methyl-3-pyridinyl)spiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 137190706
3-(6-methyl-3-pyridinyl)-1H-pyridin-2-one
CID 141047342
3-(1H-imidazol-5-yl)pyridine;hydrochloride
CID 67500499
CID 174104322
CID 174104322
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione
CID 134217108
ethane;2-(1H-imidazol-5-yl)pyridine
CID 144804371
CID 160691623
CID 160691623

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride?
The IUPAC name of 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride (CID 160500938) is 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride?
The canonical SMILES for 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride is Cc1ccc(-c2cn(CN3C(=O)c4ccccc4C3=O)cn2)cn1.Cc1ccc(-c2cnc[nH]2)cn1.Cl.Cl.
What is the InChIKey of 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride?
The InChIKey is LBEBIIAPOHJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2.C9H9N3.2ClH/c1-12-6-7-13(8-19-12)16-9-21(10-20-16)11-22-17(23)14-4-2-3-5-15(14)18(22)24;1-7-2-3-8(4-11-7)9-5-10-6-12-9;;/h2-10H,11H2,1H3;2-6H,1H3,(H,10,12);2*1H.
What are the key properties of 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride?
5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride has a molecular weight of 550.45 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-2-methylpyridine;2-[[4-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]isoindole-1,3-dione;dihydrochloride is sourced from PubChem (CID 160500938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).