2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole

C23H19BrN2 — CID 11825610

IUPAC2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
SMILESCCn1c(-c2ccc(Br)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H19BrN2/c1-2-26-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)25-23(26)19-13-15-20(24)16-14-19/h3-16H,2H2,1H3
InChIKeyQRDUASNYLWIPED-UHFFFAOYSA-N
MW403.32 g/mol
LogP6.67
Rot. Bonds4

About 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole

2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole (PubChem CID 11825610) has the molecular formula C23H19BrN2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
PubChem CID11825610
Molecular FormulaC23H19BrN2
Molecular Weight403.32 g/mol
Exact Mass402.07
IUPAC Name2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
SMILESCCn1c(-c2ccc(Br)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H19BrN2/c1-2-26-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)25-23(26)19-13-15-20(24)16-14-19/h3-16H,2H2,1H3
InChIKeyQRDUASNYLWIPED-UHFFFAOYSA-N
XLogP6.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole (CID 11825610) is 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole is CCn1c(-c2ccc(Br)cc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole?
The InChIKey is QRDUASNYLWIPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2/c1-2-26-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)25-23(26)19-13-15-20(24)16-14-19/h3-16H,2H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole?
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole has a molecular weight of 403.32 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole is sourced from PubChem (CID 11825610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).