5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole

C30H22BrN3O — CID 58319592

IUPAC5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H22BrN3O/c1-19-7-9-20(10-8-19)28-29(21-11-14-24(15-12-21)35-23-5-3-2-4-6-23)34-30(33-28)26-18-32-27-16-13-22(31)17-25(26)27/h2-18,32H,1H3,(H,33,34)
InChIKeyZNNDCWDLRCFOBF-UHFFFAOYSA-N
MW520.43 g/mol
LogP8.76
Rot. Bonds5

About 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole

5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 58319592) has the molecular formula C30H22BrN3O and a molecular weight of 520.43 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID58319592
Molecular FormulaC30H22BrN3O
Molecular Weight520.43 g/mol
Exact Mass519.09
IUPAC Name5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H22BrN3O/c1-19-7-9-20(10-8-19)28-29(21-11-14-24(15-12-21)35-23-5-3-2-4-6-23)34-30(33-28)26-18-32-27-16-13-22(31)17-25(26)27/h2-18,32H,1H3,(H,33,34)
InChIKeyZNNDCWDLRCFOBF-UHFFFAOYSA-N
XLogP8.76
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole (CID 58319592) is 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole is Cc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is ZNNDCWDLRCFOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN3O/c1-19-7-9-20(10-8-19)28-29(21-11-14-24(15-12-21)35-23-5-3-2-4-6-23)34-30(33-28)26-18-32-27-16-13-22(31)17-25(26)27/h2-18,32H,1H3,(H,33,34).
What are the key properties of 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 520.43 g/mol, XLogP of 8.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 58319592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).