1-(4-methylphenyl)-2,4,5-triphenylimidazole

C28H22N2 — CID 45050879

IUPAC1-(4-methylphenyl)-2,4,5-triphenylimidazole
SMILESCc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-21-17-19-25(20-18-21)30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)29-28(30)24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyRFZBRFSCRBCSQD-UHFFFAOYSA-N
MW386.50 g/mol
LogP7.18
Rot. Bonds4

About 1-(4-methylphenyl)-2,4,5-triphenylimidazole

1-(4-methylphenyl)-2,4,5-triphenylimidazole (PubChem CID 45050879) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-2,4,5-triphenylimidazole
PubChem CID45050879
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name1-(4-methylphenyl)-2,4,5-triphenylimidazole
SMILESCc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-21-17-19-25(20-18-21)30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)29-28(30)24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyRFZBRFSCRBCSQD-UHFFFAOYSA-N
XLogP7.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2,4,5-triphenylimidazole?
The IUPAC name of 1-(4-methylphenyl)-2,4,5-triphenylimidazole (CID 45050879) is 1-(4-methylphenyl)-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-(4-methylphenyl)-2,4,5-triphenylimidazole?
The canonical SMILES for 1-(4-methylphenyl)-2,4,5-triphenylimidazole is Cc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2,4,5-triphenylimidazole?
The InChIKey is RFZBRFSCRBCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-21-17-19-25(20-18-21)30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)29-28(30)24-15-9-4-10-16-24/h2-20H,1H3.
What are the key properties of 1-(4-methylphenyl)-2,4,5-triphenylimidazole?
1-(4-methylphenyl)-2,4,5-triphenylimidazole has a molecular weight of 386.50 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2,4,5-triphenylimidazole is sourced from PubChem (CID 45050879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).