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

C27H19BrN2 — CID 71122850

IUPAC1-(4-bromophenyl)-2,4,5-triphenylimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H19BrN2/c28-23-16-18-24(19-17-23)30-26(21-12-6-2-7-13-21)25(20-10-4-1-5-11-20)29-27(30)22-14-8-3-9-15-22/h1-19H
InChIKeyNFMWHZLCIOIGFU-UHFFFAOYSA-N
MW451.37 g/mol
LogP7.64
Rot. Bonds4

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

1-(4-bromophenyl)-2,4,5-triphenylimidazole (PubChem CID 71122850) has the molecular formula C27H19BrN2 and a molecular weight of 451.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4,5-triphenylimidazole
PubChem CID71122850
Molecular FormulaC27H19BrN2
Molecular Weight451.37 g/mol
Exact Mass450.07
IUPAC Name1-(4-bromophenyl)-2,4,5-triphenylimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H19BrN2/c28-23-16-18-24(19-17-23)30-26(21-12-6-2-7-13-21)25(20-10-4-1-5-11-20)29-27(30)22-14-8-3-9-15-22/h1-19H
InChIKeyNFMWHZLCIOIGFU-UHFFFAOYSA-N
XLogP7.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,4,5-triphenylimidazole?
The IUPAC name of 1-(4-bromophenyl)-2,4,5-triphenylimidazole (CID 71122850) is 1-(4-bromophenyl)-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-2,4,5-triphenylimidazole?
The canonical SMILES for 1-(4-bromophenyl)-2,4,5-triphenylimidazole is Brc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2,4,5-triphenylimidazole?
The InChIKey is NFMWHZLCIOIGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrN2/c28-23-16-18-24(19-17-23)30-26(21-12-6-2-7-13-21)25(20-10-4-1-5-11-20)29-27(30)22-14-8-3-9-15-22/h1-19H.
What are the key properties of 1-(4-bromophenyl)-2,4,5-triphenylimidazole?
1-(4-bromophenyl)-2,4,5-triphenylimidazole has a molecular weight of 451.37 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4,5-triphenylimidazole is sourced from PubChem (CID 71122850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).