1-benzyl-2,4,5-triphenylimidazole

C28H22N2 — CID 3615012

IUPAC1-benzyl-2,4,5-triphenylimidazole
SMILESc1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-5-13-22(14-6-1)21-30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-28(30)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyYXISEDRBMZJRNY-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.93
Rot. Bonds5

About 1-benzyl-2,4,5-triphenylimidazole

1-benzyl-2,4,5-triphenylimidazole (PubChem CID 3615012) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-benzyl-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-benzyl-2,4,5-triphenylimidazole
PubChem CID3615012
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name1-benzyl-2,4,5-triphenylimidazole
SMILESc1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-5-13-22(14-6-1)21-30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-28(30)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyYXISEDRBMZJRNY-UHFFFAOYSA-N
XLogP6.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4,5-triphenylimidazole?
The IUPAC name of 1-benzyl-2,4,5-triphenylimidazole (CID 3615012) is 1-benzyl-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-benzyl-2,4,5-triphenylimidazole?
The canonical SMILES for 1-benzyl-2,4,5-triphenylimidazole is c1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2,4,5-triphenylimidazole?
The InChIKey is YXISEDRBMZJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-5-13-22(14-6-1)21-30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-28(30)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of 1-benzyl-2,4,5-triphenylimidazole?
1-benzyl-2,4,5-triphenylimidazole has a molecular weight of 386.50 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4,5-triphenylimidazole is sourced from PubChem (CID 3615012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).