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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol

C94H66Br2N8O6 — CID 161120121

IUPAC4-[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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol
SMILESO=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.Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C26H18N2O2.C25H18N2O.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;28-20-13-6-12-19(16-20)25-26-23(18-9-2-1-3-10-18)24(27-25)22-15-7-11-17-8-4-5-14-21(17)22;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);1-16,28H,(H,26,27);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24)
InChIKeyUKVLLUFJYQNXGO-UHFFFAOYSA-N
MW1563.42 g/mol
LogP24.28
Rot. Bonds14

About 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;3-(5-naphthalen-1-yl-4-phenyl-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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol (PubChem CID 161120121) has the molecular formula C94H66Br2N8O6 and a molecular weight of 1563.42 g/mol. Its IUPAC name is 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-[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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol
PubChem CID161120121
Molecular FormulaC94H66Br2N8O6
Molecular Weight1563.42 g/mol
Exact Mass1560.35
IUPAC Name4-[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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol
SMILESO=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.Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C26H18N2O2.C25H18N2O.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;28-20-13-6-12-19(16-20)25-26-23(18-9-2-1-3-10-18)24(27-25)22-15-7-11-17-8-4-5-14-21(17)22;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);1-16,28H,(H,26,27);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24)
InChIKeyUKVLLUFJYQNXGO-UHFFFAOYSA-N
XLogP24.28
TPSA229.78 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.42
LogP ≤ 524.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol?
The IUPAC name of 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol (CID 161120121) is 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol is 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.Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)c1.
What is the InChIKey of 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol?
The InChIKey is UKVLLUFJYQNXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2.C25H18N2O.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;28-20-13-6-12-19(16-20)25-26-23(18-9-2-1-3-10-18)24(27-25)22-15-7-11-17-8-4-5-14-21(17)22;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);1-16,28H,(H,26,27);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24).
What are the key properties of 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;3-(5-naphthalen-1-yl-4-phenyl-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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol has a molecular weight of 1563.42 g/mol, XLogP of 24.28, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 161120121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).