4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine

C24H20ClN3 — CID 54303313

IUPAC4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine
SMILESC=CCc1cccc(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C24H20ClN3/c1-3-5-17-7-4-6-16(2)21(17)24-27-22(18-8-10-20(25)11-9-18)23(28-24)19-12-14-26-15-13-19/h3-4,6-15H,1,5H2,2H3,(H,27,28)
InChIKeySFTKVDNNCFUXIS-UHFFFAOYSA-N
MW385.90 g/mol
LogP6.50
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine

4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 54303313) has the molecular formula C24H20ClN3 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID54303313
Molecular FormulaC24H20ClN3
Molecular Weight385.90 g/mol
Exact Mass385.13
IUPAC Name4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine
SMILESC=CCc1cccc(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C24H20ClN3/c1-3-5-17-7-4-6-16(2)21(17)24-27-22(18-8-10-20(25)11-9-18)23(28-24)19-12-14-26-15-13-19/h3-4,6-15H,1,5H2,2H3,(H,27,28)
InChIKeySFTKVDNNCFUXIS-UHFFFAOYSA-N
XLogP6.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine (CID 54303313) is 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine is C=CCc1cccc(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is SFTKVDNNCFUXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3/c1-3-5-17-7-4-6-16(2)21(17)24-27-22(18-8-10-20(25)11-9-18)23(28-24)19-12-14-26-15-13-19/h3-4,6-15H,1,5H2,2H3,(H,27,28).
What are the key properties of 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 385.90 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 54303313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).