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

C92H74Br2N8O7 — CID 157418443

IUPAC4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid
SMILESCOc1ccc(C2N=C(c3ccc(O)cc3)NC2c2ccc(C)cc2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.O=C(O)c1ccc(C2=NC(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1.Oc1ccc(C2=NC(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1
InChIInChI=1S/C26H18N2O2.C23H22N2O2.C22H17BrN2O2.C21H17BrN2O/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;1-15-3-5-16(6-4-15)21-22(17-9-13-20(27-2)14-10-17)25-23(24-21)18-7-11-19(26)12-8-18;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);3-14,21-22,26H,1-2H3,(H,24,25);1-13,19-20H,(H,24,25)(H,26,27);1-13,19-20,25H,(H,23,24)
InChIKeyBPCUTHVTEBUTMB-UHFFFAOYSA-N
MW1563.46 g/mol
LogP20.77
Rot. Bonds15

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

4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid (PubChem CID 157418443) has the molecular formula C92H74Br2N8O7 and a molecular weight of 1563.46 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid
PubChem CID157418443
Molecular FormulaC92H74Br2N8O7
Molecular Weight1563.46 g/mol
Exact Mass1560.40
IUPAC Name4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid
SMILESCOc1ccc(C2N=C(c3ccc(O)cc3)NC2c2ccc(C)cc2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.O=C(O)c1ccc(C2=NC(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1.Oc1ccc(C2=NC(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1
InChIInChI=1S/C26H18N2O2.C23H22N2O2.C22H17BrN2O2.C21H17BrN2O/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;1-15-3-5-16(6-4-15)21-22(17-9-13-20(27-2)14-10-17)25-23(24-21)18-7-11-19(26)12-8-18;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);3-14,21-22,26H,1-2H3,(H,24,25);1-13,19-20H,(H,24,25)(H,26,27);1-13,19-20,25H,(H,23,24)
InChIKeyBPCUTHVTEBUTMB-UHFFFAOYSA-N
XLogP20.77
TPSA226.14 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001563.46
LogP ≤ 520.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-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-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid (CID 157418443) is 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-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-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid is COc1ccc(C2N=C(c3ccc(O)cc3)NC2c2ccc(C)cc2)cc1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.O=C(O)c1ccc(C2=NC(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1.Oc1ccc(C2=NC(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
The InChIKey is BPCUTHVTEBUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2.C23H22N2O2.C22H17BrN2O2.C21H17BrN2O/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;1-15-3-5-16(6-4-15)21-22(17-9-13-20(27-2)14-10-17)25-23(24-21)18-7-11-19(26)12-8-18;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);3-14,21-22,26H,1-2H3,(H,24,25);1-13,19-20H,(H,24,25)(H,26,27);1-13,19-20,25H,(H,23,24).
What are the key properties of 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid?
4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid has a molecular weight of 1563.46 g/mol, XLogP of 20.77, 15 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]phenol;4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 157418443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).