4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine

C24H22ClN3 — CID 11596208

IUPAC4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine
SMILESCCn1c(-c2c(C)cccc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3/c1-4-28-23(19-8-10-20(25)11-9-19)22(18-12-14-26-15-13-18)27-24(28)21-16(2)6-5-7-17(21)3/h5-15H,4H2,1-3H3
InChIKeyVFHYENUBJSWWAI-UHFFFAOYSA-N
MW387.91 g/mol
LogP6.57
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine (PubChem CID 11596208) has the molecular formula C24H22ClN3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine
PubChem CID11596208
Molecular FormulaC24H22ClN3
Molecular Weight387.91 g/mol
Exact Mass387.15
IUPAC Name4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine
SMILESCCn1c(-c2c(C)cccc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3/c1-4-28-23(19-8-10-20(25)11-9-19)22(18-12-14-26-15-13-18)27-24(28)21-16(2)6-5-7-17(21)3/h5-15H,4H2,1-3H3
InChIKeyVFHYENUBJSWWAI-UHFFFAOYSA-N
XLogP6.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine (CID 11596208) is 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine is CCn1c(-c2c(C)cccc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine?
The InChIKey is VFHYENUBJSWWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3/c1-4-28-23(19-8-10-20(25)11-9-19)22(18-12-14-26-15-13-18)27-24(28)21-16(2)6-5-7-17(21)3/h5-15H,4H2,1-3H3.
What are the key properties of 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine has a molecular weight of 387.91 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1-ethylimidazol-4-yl]pyridine is sourced from PubChem (CID 11596208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).