4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid

C92H68Br2N8O8 — CID 161158633

IUPAC4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid
SMILESCOc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C26H18N2O2.C23H20N2O3.C22H15BrN2O2.C21H15BrN2O/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22;1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;23-18-12-10-15(11-13-18)20-19(14-4-2-1-3-5-14)24-21(25-20)16-6-8-17(9-7-16)22(26)27;22-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)23-21(24-20)16-8-12-18(25)13-9-16/h1-16H,(H,27,28)(H,29,30);3-14,26H,1-2H3,(H,24,25);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24)
InChIKeyUPQBDJLDUOCVKQ-UHFFFAOYSA-N
MW1573.41 g/mol
LogP23.15
Rot. Bonds16

About 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid

4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid (PubChem CID 161158633) has the molecular formula C92H68Br2N8O8 and a molecular weight of 1573.41 g/mol. Its IUPAC name is 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid
PubChem CID161158633
Molecular FormulaC92H68Br2N8O8
Molecular Weight1573.41 g/mol
Exact Mass1570.35
IUPAC Name4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid
SMILESCOc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C26H18N2O2.C23H20N2O3.C22H15BrN2O2.C21H15BrN2O/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22;1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;23-18-12-10-15(11-13-18)20-19(14-4-2-1-3-5-14)24-21(25-20)16-6-8-17(9-7-16)22(26)27;22-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)23-21(24-20)16-8-12-18(25)13-9-16/h1-16H,(H,27,28)(H,29,30);3-14,26H,1-2H3,(H,24,25);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24)
InChIKeyUPQBDJLDUOCVKQ-UHFFFAOYSA-N
XLogP23.15
TPSA248.24 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.41
LogP ≤ 523.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid (CID 161158633) is 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid is COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
The InChIKey is UPQBDJLDUOCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2.C23H20N2O3.C22H15BrN2O2.C21H15BrN2O/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22;1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;23-18-12-10-15(11-13-18)20-19(14-4-2-1-3-5-14)24-21(25-20)16-6-8-17(9-7-16)22(26)27;22-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)23-21(24-20)16-8-12-18(25)13-9-16/h1-16H,(H,27,28)(H,29,30);3-14,26H,1-2H3,(H,24,25);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24).
What are the key properties of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid has a molecular weight of 1573.41 g/mol, XLogP of 23.15, 16 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 161158633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).