4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole

C26H22N2 — CID 143688558

IUPAC4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole
SMILESC=Cc1nc(-c2ccc(-c3ccc(C)cc3)cc2)n(-c2ccccc2)c1C=C
InChIInChI=1S/C26H22N2/c1-4-24-25(5-2)28(23-9-7-6-8-10-23)26(27-24)22-17-15-21(16-18-22)20-13-11-19(3)12-14-20/h4-18H,1-2H2,3H3
InChIKeyXTWJMQDNGMKVKN-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.80
Rot. Bonds5

About 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole

4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole (PubChem CID 143688558) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole
PubChem CID143688558
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole
SMILESC=Cc1nc(-c2ccc(-c3ccc(C)cc3)cc2)n(-c2ccccc2)c1C=C
InChIInChI=1S/C26H22N2/c1-4-24-25(5-2)28(23-9-7-6-8-10-23)26(27-24)22-17-15-21(16-18-22)20-13-11-19(3)12-14-20/h4-18H,1-2H2,3H3
InChIKeyXTWJMQDNGMKVKN-UHFFFAOYSA-N
XLogP6.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole?
The IUPAC name of 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole (CID 143688558) is 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole.
What is the SMILES notation for 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole?
The canonical SMILES for 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole is C=Cc1nc(-c2ccc(-c3ccc(C)cc3)cc2)n(-c2ccccc2)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole?
The InChIKey is XTWJMQDNGMKVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-4-24-25(5-2)28(23-9-7-6-8-10-23)26(27-24)22-17-15-21(16-18-22)20-13-11-19(3)12-14-20/h4-18H,1-2H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole?
4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole has a molecular weight of 362.48 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole is sourced from PubChem (CID 143688558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).