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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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
CID 135968526
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
CID 40532851
3-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135420505
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717

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).