4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine

C25H24ClN3 — CID 11639973

IUPAC4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine
SMILESCCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3/c1-5-29-24(20-6-8-21(26)9-7-20)23(19-10-12-27-13-11-19)28-25(29)22-17(3)14-16(2)15-18(22)4/h6-15H,5H2,1-4H3
InChIKeyKBNPAOSCZPSZSL-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.88
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine (PubChem CID 11639973) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine
PubChem CID11639973
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine
SMILESCCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3/c1-5-29-24(20-6-8-21(26)9-7-20)23(19-10-12-27-13-11-19)28-25(29)22-17(3)14-16(2)15-18(22)4/h6-15H,5H2,1-4H3
InChIKeyKBNPAOSCZPSZSL-UHFFFAOYSA-N
XLogP6.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.88
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)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine (CID 11639973) is 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine is CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
The InChIKey is KBNPAOSCZPSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c1-5-29-24(20-6-8-21(26)9-7-20)23(19-10-12-27-13-11-19)28-25(29)22-17(3)14-16(2)15-18(22)4/h6-15H,5H2,1-4H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine has a molecular weight of 401.94 g/mol, XLogP of 6.88, 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)-1-ethyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 11639973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).