4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine

C21H15BrClN3 — CID 54276997

IUPAC4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESCc1cccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)c1Br
InChIInChI=1S/C21H15BrClN3/c1-13-3-2-4-17(18(13)22)21-25-19(14-5-7-16(23)8-6-14)20(26-21)15-9-11-24-12-10-15/h2-12H,1H3,(H,25,26)
InChIKeyROCHYBHEPVEPQI-UHFFFAOYSA-N
MW424.73 g/mol
LogP6.53
Rot. Bonds3

About 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 54276997) has the molecular formula C21H15BrClN3 and a molecular weight of 424.73 g/mol. Its IUPAC name is 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID54276997
Molecular FormulaC21H15BrClN3
Molecular Weight424.73 g/mol
Exact Mass423.01
IUPAC Name4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESCc1cccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)c1Br
InChIInChI=1S/C21H15BrClN3/c1-13-3-2-4-17(18(13)22)21-25-19(14-5-7-16(23)8-6-14)20(26-21)15-9-11-24-12-10-15/h2-12H,1H3,(H,25,26)
InChIKeyROCHYBHEPVEPQI-UHFFFAOYSA-N
XLogP6.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.73
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine (CID 54276997) is 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine is Cc1cccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)c1Br.
What is the InChIKey of 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is ROCHYBHEPVEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClN3/c1-13-3-2-4-17(18(13)22)21-25-19(14-5-7-16(23)8-6-14)20(26-21)15-9-11-24-12-10-15/h2-12H,1H3,(H,25,26).
What are the key properties of 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 424.73 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 54276997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).