4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol

C100H71BrN8O6 — CID 162036245

IUPAC4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-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.Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1.Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C27H20N2O.C26H18N2O2.C25H18N2O.C22H15BrN2O2/c30-24-13-7-12-23(18-24)27-28-25(21-10-5-2-6-11-21)26(29-27)22-16-14-20(15-17-22)19-8-3-1-4-9-19;29-26(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/h1-18,30H,(H,28,29);1-16H,(H,27,28)(H,29,30);1-16,28H,(H,26,27);1-13H,(H,24,25)(H,26,27)
InChIKeyYWRJTLXZGIYOKS-UHFFFAOYSA-N
MW1560.62 g/mol
LogP25.19
Rot. Bonds15

About 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol

4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol (PubChem CID 162036245) has the molecular formula C100H71BrN8O6 and a molecular weight of 1560.62 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol
PubChem CID162036245
Molecular FormulaC100H71BrN8O6
Molecular Weight1560.62 g/mol
Exact Mass1558.47
IUPAC Name4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-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.Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1.Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C27H20N2O.C26H18N2O2.C25H18N2O.C22H15BrN2O2/c30-24-13-7-12-23(18-24)27-28-25(21-10-5-2-6-11-21)26(29-27)22-16-14-20(15-17-22)19-8-3-1-4-9-19;29-26(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/h1-18,30H,(H,28,29);1-16H,(H,27,28)(H,29,30);1-16,28H,(H,26,27);1-13H,(H,24,25)(H,26,27)
InChIKeyYWRJTLXZGIYOKS-UHFFFAOYSA-N
XLogP25.19
TPSA229.78 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.62
LogP ≤ 525.19
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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol (CID 162036245) is 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-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.Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1.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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is YWRJTLXZGIYOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O.C26H18N2O2.C25H18N2O.C22H15BrN2O2/c30-24-13-7-12-23(18-24)27-28-25(21-10-5-2-6-11-21)26(29-27)22-16-14-20(15-17-22)19-8-3-1-4-9-19;29-26(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/h1-18,30H,(H,28,29);1-16H,(H,27,28)(H,29,30);1-16,28H,(H,26,27);1-13H,(H,24,25)(H,26,27).
What are the key properties of 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;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;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 1560.62 g/mol, XLogP of 25.19, 15 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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)phenol;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 162036245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).