2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

C23H19BrN2O2 — CID 1101724

IUPAC2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19BrN2O2/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)26-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3,(H,25,26)
InChIKeyBXVBOGMTNIOMQA-UHFFFAOYSA-N
MW435.32 g/mol
LogP6.19
Rot. Bonds5

About 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole (PubChem CID 1101724) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
PubChem CID1101724
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC Name2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19BrN2O2/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)26-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3,(H,25,26)
InChIKeyBXVBOGMTNIOMQA-UHFFFAOYSA-N
XLogP6.19
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole (CID 1101724) is 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The InChIKey is BXVBOGMTNIOMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)26-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3,(H,25,26).
What are the key properties of 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole has a molecular weight of 435.32 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 1101724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).