4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine

C23H23N5 — CID 91475560

IUPAC4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine
SMILESCc1cccc(-c2nc(-n3nc(C)cc3C)[nH]c2C=C=C2C=CN(C)C=C2)c1
InChIInChI=1S/C23H23N5/c1-16-6-5-7-20(14-16)22-21(9-8-19-10-12-27(4)13-11-19)24-23(25-22)28-18(3)15-17(2)26-28/h5-7,9-15H,1-4H3,(H,24,25)
InChIKeySHNCBEUZZFORCA-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.70
Rot. Bonds3

About 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine

4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine (PubChem CID 91475560) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine.

Molecular Properties

Compound Name4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine
PubChem CID91475560
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine
SMILESCc1cccc(-c2nc(-n3nc(C)cc3C)[nH]c2C=C=C2C=CN(C)C=C2)c1
InChIInChI=1S/C23H23N5/c1-16-6-5-7-20(14-16)22-21(9-8-19-10-12-27(4)13-11-19)24-23(25-22)28-18(3)15-17(2)26-28/h5-7,9-15H,1-4H3,(H,24,25)
InChIKeySHNCBEUZZFORCA-UHFFFAOYSA-N
XLogP4.70
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine?
The IUPAC name of 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine (CID 91475560) is 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine.
What is the SMILES notation for 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine?
The canonical SMILES for 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine is Cc1cccc(-c2nc(-n3nc(C)cc3C)[nH]c2C=C=C2C=CN(C)C=C2)c1.
What is the InChIKey of 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine?
The InChIKey is SHNCBEUZZFORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-16-6-5-7-20(14-16)22-21(9-8-19-10-12-27(4)13-11-19)24-23(25-22)28-18(3)15-17(2)26-28/h5-7,9-15H,1-4H3,(H,24,25).
What are the key properties of 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine?
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine has a molecular weight of 369.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]ethenylidene]-1-methylpyridine is sourced from PubChem (CID 91475560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).