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

C26H24ClN3 — CID 11690153

IUPAC4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine
SMILESC=CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3/c1-5-14-30-25(21-6-8-22(27)9-7-21)24(20-10-12-28-13-11-20)29-26(30)23-18(3)15-17(2)16-19(23)4/h5-13,15-16H,1,14H2,2-4H3
InChIKeyWUULJUIYRHXVMA-UHFFFAOYSA-N
MW413.95 g/mol
LogP7.04
Rot. Bonds5

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

4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine (PubChem CID 11690153) has the molecular formula C26H24ClN3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine
PubChem CID11690153
Molecular FormulaC26H24ClN3
Molecular Weight413.95 g/mol
Exact Mass413.17
IUPAC Name4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine
SMILESC=CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3/c1-5-14-30-25(21-6-8-22(27)9-7-21)24(20-10-12-28-13-11-20)29-26(30)23-18(3)15-17(2)16-19(23)4/h5-13,15-16H,1,14H2,2-4H3
InChIKeyWUULJUIYRHXVMA-UHFFFAOYSA-N
XLogP7.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine (CID 11690153) is 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine is C=CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
The InChIKey is WUULJUIYRHXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3/c1-5-14-30-25(21-6-8-22(27)9-7-21)24(20-10-12-28-13-11-20)29-26(30)23-18(3)15-17(2)16-19(23)4/h5-13,15-16H,1,14H2,2-4H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-1-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine has a molecular weight of 413.95 g/mol, XLogP of 7.04, 5 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-prop-2-enyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 11690153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).