4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol

C94H66Br4Cl2N8O7 — CID 158184768

IUPAC4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol
SMILESCOc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc(C)c1C(=O)O.O=C(O)c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1.Oc1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3Br)[nH]2)c1
InChIInChI=1S/C27H20N2O.C24H18Cl2N2O3.C22H14Br2N2O2.C21H14Br2N2O/c30-24-17-15-23(16-18-24)27-28-25(21-9-5-2-6-10-21)26(29-27)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-13-11-16(12-19(31-2)20(13)24(29)30)23-27-21(14-3-7-17(25)8-4-14)22(28-23)15-5-9-18(26)10-6-15;23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28;22-15-10-8-13(9-11-15)19-20(17-6-1-2-7-18(17)23)25-21(24-19)14-4-3-5-16(26)12-14/h1-18,30H,(H,28,29);3-12H,1-2H3,(H,27,28)(H,29,30);1-12H,(H,25,26)(H,27,28);1-12,26H,(H,24,25)
InChIKeyFYZZAHYFNGJOCC-UHFFFAOYSA-N
MW1810.13 g/mol
LogP26.79
Rot. Bonds16

About 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol

4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol (PubChem CID 158184768) has the molecular formula C94H66Br4Cl2N8O7 and a molecular weight of 1810.13 g/mol. Its IUPAC name is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol
PubChem CID158184768
Molecular FormulaC94H66Br4Cl2N8O7
Molecular Weight1810.13 g/mol
Exact Mass1804.12
IUPAC Name4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol
SMILESCOc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc(C)c1C(=O)O.O=C(O)c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1.Oc1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3Br)[nH]2)c1
InChIInChI=1S/C27H20N2O.C24H18Cl2N2O3.C22H14Br2N2O2.C21H14Br2N2O/c30-24-17-15-23(16-18-24)27-28-25(21-9-5-2-6-10-21)26(29-27)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-13-11-16(12-19(31-2)20(13)24(29)30)23-27-21(14-3-7-17(25)8-4-14)22(28-23)15-5-9-18(26)10-6-15;23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28;22-15-10-8-13(9-11-15)19-20(17-6-1-2-7-18(17)23)25-21(24-19)14-4-3-5-16(26)12-14/h1-18,30H,(H,28,29);3-12H,1-2H3,(H,27,28)(H,29,30);1-12H,(H,25,26)(H,27,28);1-12,26H,(H,24,25)
InChIKeyFYZZAHYFNGJOCC-UHFFFAOYSA-N
XLogP26.79
TPSA239.01 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.13
LogP ≤ 526.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol (CID 158184768) is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol is COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc(C)c1C(=O)O.O=C(O)c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1.Oc1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3Br)[nH]2)c1.
What is the InChIKey of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is FYZZAHYFNGJOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O.C24H18Cl2N2O3.C22H14Br2N2O2.C21H14Br2N2O/c30-24-17-15-23(16-18-24)27-28-25(21-9-5-2-6-10-21)26(29-27)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-13-11-16(12-19(31-2)20(13)24(29)30)23-27-21(14-3-7-17(25)8-4-14)22(28-23)15-5-9-18(26)10-6-15;23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28;22-15-10-8-13(9-11-15)19-20(17-6-1-2-7-18(17)23)25-21(24-19)14-4-3-5-16(26)12-14/h1-18,30H,(H,28,29);3-12H,1-2H3,(H,27,28)(H,29,30);1-12H,(H,25,26)(H,27,28);1-12,26H,(H,24,25).
What are the key properties of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 1810.13 g/mol, XLogP of 26.79, 16 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]benzoic acid;4-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methoxy-6-methylbenzoic acid;3-[5-(2-bromophenyl)-4-(4-bromophenyl)-1H-imidazol-2-yl]phenol;4-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 158184768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).