[2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate

C127H121BrN12O16S4 — CID 157431393

IUPAC[2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate
SMILESCC(C)(C)c1cc(C(C)(C)C)c2nc(-c3ccccc3OS(C)(=O)=O)n(-c3ccccc3)c2c1.COc1cc(-n2c(-c3ccncc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C)c1OC.COc1ccc(-c2nc(-c3ccccc3OS(C)(=O)=O)n(-c3ccccc3)c2-c2ccc(OC)cc2)cc1.Cc1cccc(Br)c1C1NC2=C(CCCC2)N1c1ccc(C#N)cc1.Cc1nc(-c2ccccc2OS(C)(=O)=O)n(-c2ccccc2)c1C
InChIInChI=1S/C30H25N3O5S.C30H26N2O5S.C28H32N2O3S.C21H20BrN3.C18H18N2O3S/c1-18-15-19(16-25(36-2)29(18)37-3)33-28-23-12-8-6-10-21(23)20-9-5-7-11-22(20)27(28)32-30(33)24-13-14-31-17-26(24)38-39(4,34)35;1-35-24-17-13-21(14-18-24)28-29(22-15-19-25(36-2)20-16-22)32(23-9-5-4-6-10-23)30(31-28)26-11-7-8-12-27(26)37-38(3,33)34;1-27(2,3)19-17-22(28(4,5)6)25-23(18-19)30(20-13-9-8-10-14-20)26(29-25)21-15-11-12-16-24(21)33-34(7,31)32;1-14-5-4-6-17(22)20(14)21-24-18-7-2-3-8-19(18)25(21)16-11-9-15(13-23)10-12-16;1-13-14(2)20(15-9-5-4-6-10-15)18(19-13)16-11-7-8-12-17(16)23-24(3,21)22/h5-17H,1-4H3;4-20H,1-3H3;8-18H,1-7H3;4-6,9-12,21,24H,2-3,7-8H2,1H3;4-12H,1-3H3
InChIKeyBQORYGAMFLSDER-UHFFFAOYSA-N
MW2279.60 g/mol
LogP27.93
Rot. Bonds24

About [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate

[2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate (PubChem CID 157431393) has the molecular formula C127H121BrN12O16S4 and a molecular weight of 2279.60 g/mol. Its IUPAC name is [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate.

Molecular Properties

Compound Name[2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate
PubChem CID157431393
Molecular FormulaC127H121BrN12O16S4
Molecular Weight2279.60 g/mol
Exact Mass2276.71
IUPAC Name[2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate
SMILESCC(C)(C)c1cc(C(C)(C)C)c2nc(-c3ccccc3OS(C)(=O)=O)n(-c3ccccc3)c2c1.COc1cc(-n2c(-c3ccncc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C)c1OC.COc1ccc(-c2nc(-c3ccccc3OS(C)(=O)=O)n(-c3ccccc3)c2-c2ccc(OC)cc2)cc1.Cc1cccc(Br)c1C1NC2=C(CCCC2)N1c1ccc(C#N)cc1.Cc1nc(-c2ccccc2OS(C)(=O)=O)n(-c2ccccc2)c1C
InChIInChI=1S/C30H25N3O5S.C30H26N2O5S.C28H32N2O3S.C21H20BrN3.C18H18N2O3S/c1-18-15-19(16-25(36-2)29(18)37-3)33-28-23-12-8-6-10-21(23)20-9-5-7-11-22(20)27(28)32-30(33)24-13-14-31-17-26(24)38-39(4,34)35;1-35-24-17-13-21(14-18-24)28-29(22-15-19-25(36-2)20-16-22)32(23-9-5-4-6-10-23)30(31-28)26-11-7-8-12-27(26)37-38(3,33)34;1-27(2,3)19-17-22(28(4,5)6)25-23(18-19)30(20-13-9-8-10-14-20)26(29-25)21-15-11-12-16-24(21)33-34(7,31)32;1-14-5-4-6-17(22)20(14)21-24-18-7-2-3-8-19(18)25(21)16-11-9-15(13-23)10-12-16;1-13-14(2)20(15-9-5-4-6-10-15)18(19-13)16-11-7-8-12-17(16)23-24(3,21)22/h5-17H,1-4H3;4-20H,1-3H3;8-18H,1-7H3;4-6,9-12,21,24H,2-3,7-8H2,1H3;4-12H,1-3H3
InChIKeyBQORYGAMFLSDER-UHFFFAOYSA-N
XLogP27.93
TPSA333.63 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002279.60
LogP ≤ 527.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-Bromonaphthalen-1-yl)-3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazole;[5-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]quinolin-4-yl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-1-yl] methanesulfonate;3-phenyl-2-[8-(2,2,2-trifluoroethoxy)naphthalen-1-yl]phenanthro[9,10-d]imidazole
CID 162258632
[2-[3-(3,5-Ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate
CID 161475791

Frequently Asked Questions

What is the IUPAC name of [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate?
The IUPAC name of [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate (CID 157431393) is [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate.
What is the SMILES notation for [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate?
The canonical SMILES for [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate is CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3ccccc3OS(C)(=O)=O)n(-c3ccccc3)c2c1.COc1cc(-n2c(-c3ccncc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C)c1OC.COc1ccc(-c2nc(-c3ccccc3OS(C)(=O)=O)n(-c3ccccc3)c2-c2ccc(OC)cc2)cc1.Cc1cccc(Br)c1C1NC2=C(CCCC2)N1c1ccc(C#N)cc1.Cc1nc(-c2ccccc2OS(C)(=O)=O)n(-c2ccccc2)c1C.
What is the InChIKey of [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate?
The InChIKey is BQORYGAMFLSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O5S.C30H26N2O5S.C28H32N2O3S.C21H20BrN3.C18H18N2O3S/c1-18-15-19(16-25(36-2)29(18)37-3)33-28-23-12-8-6-10-21(23)20-9-5-7-11-22(20)27(28)32-30(33)24-13-14-31-17-26(24)38-39(4,34)35;1-35-24-17-13-21(14-18-24)28-29(22-15-19-25(36-2)20-16-22)32(23-9-5-4-6-10-23)30(31-28)26-11-7-8-12-27(26)37-38(3,33)34;1-27(2,3)19-17-22(28(4,5)6)25-23(18-19)30(20-13-9-8-10-14-20)26(29-25)21-15-11-12-16-24(21)33-34(7,31)32;1-14-5-4-6-17(22)20(14)21-24-18-7-2-3-8-19(18)25(21)16-11-9-15(13-23)10-12-16;1-13-14(2)20(15-9-5-4-6-10-15)18(19-13)16-11-7-8-12-17(16)23-24(3,21)22/h5-17H,1-4H3;4-20H,1-3H3;8-18H,1-7H3;4-6,9-12,21,24H,2-3,7-8H2,1H3;4-12H,1-3H3.
What are the key properties of [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate?
[2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate has a molecular weight of 2279.60 g/mol, XLogP of 27.93, 24 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]phenyl] methanesulfonate;4-[2-(2-bromo-6-methylphenyl)-2,3,4,5,6,7-hexahydrobenzimidazol-1-yl]benzonitrile;[2-(4,6-ditert-butyl-1-phenylbenzimidazol-2-yl)phenyl] methanesulfonate;[4-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]-3-pyridinyl] methanesulfonate;[2-(4,5-dimethyl-1-phenylimidazol-2-yl)phenyl] methanesulfonate is sourced from PubChem (CID 157431393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).