1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole

C150H114N10O3S2 — CID 157374826

IUPAC1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole
SMILESCC(C)(C)c1ccc(-n2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc32)cc1.CCCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.CCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.Cc1cc(C)c(-n2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc32)c(C)c1.Cn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21
InChIInChI=1S/C35H28N2S.C34H26N2S.C28H22N2O.C27H20N2O.C26H18N2O/c1-35(2,3)25-19-21-26(22-20-25)37-31-13-6-5-12-30(31)36-34(37)24-17-15-23(16-18-24)27-10-8-11-29-28-9-4-7-14-32(28)38-33(27)29;1-21-19-22(2)32(23(3)20-21)36-30-13-6-5-12-29(30)35-34(36)25-17-15-24(16-18-25)26-10-8-11-28-27-9-4-7-14-31(27)37-33(26)28;1-2-18-30-25-12-5-4-11-24(25)29-28(30)20-16-14-19(15-17-20)21-9-7-10-23-22-8-3-6-13-26(22)31-27(21)23;1-2-29-24-12-5-4-11-23(24)28-27(29)19-16-14-18(15-17-19)20-9-7-10-22-21-8-3-6-13-25(21)30-26(20)22;1-28-23-11-4-3-10-22(23)27-26(28)18-15-13-17(14-16-18)19-8-6-9-21-20-7-2-5-12-24(20)29-25(19)21/h4-22H,1-3H3;4-20H,1-3H3;3-17H,2,18H2,1H3;3-17H,2H2,1H3;2-16H,1H3
InChIKeyBKEUQCCSUBXCIL-UHFFFAOYSA-N
MW2168.76 g/mol
LogP41.45
Rot. Bonds15

About 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole

1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole (PubChem CID 157374826) has the molecular formula C150H114N10O3S2 and a molecular weight of 2168.76 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole
PubChem CID157374826
Molecular FormulaC150H114N10O3S2
Molecular Weight2168.76 g/mol
Exact Mass2166.85
IUPAC Name1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole
SMILESCC(C)(C)c1ccc(-n2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc32)cc1.CCCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.CCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.Cc1cc(C)c(-n2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc32)c(C)c1.Cn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21
InChIInChI=1S/C35H28N2S.C34H26N2S.C28H22N2O.C27H20N2O.C26H18N2O/c1-35(2,3)25-19-21-26(22-20-25)37-31-13-6-5-12-30(31)36-34(37)24-17-15-23(16-18-24)27-10-8-11-29-28-9-4-7-14-32(28)38-33(27)29;1-21-19-22(2)32(23(3)20-21)36-30-13-6-5-12-29(30)35-34(36)25-17-15-24(16-18-25)26-10-8-11-28-27-9-4-7-14-31(27)37-33(26)28;1-2-18-30-25-12-5-4-11-24(25)29-28(30)20-16-14-19(15-17-20)21-9-7-10-23-22-8-3-6-13-26(22)31-27(21)23;1-2-29-24-12-5-4-11-23(24)28-27(29)19-16-14-18(15-17-19)20-9-7-10-22-21-8-3-6-13-25(21)30-26(20)22;1-28-23-11-4-3-10-22(23)27-26(28)18-15-13-17(14-16-18)19-8-6-9-21-20-7-2-5-12-24(20)29-25(19)21/h4-22H,1-3H3;4-20H,1-3H3;3-17H,2,18H2,1H3;3-17H,2H2,1H3;2-16H,1H3
InChIKeyBKEUQCCSUBXCIL-UHFFFAOYSA-N
XLogP41.45
TPSA128.52 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002168.76
LogP ≤ 541.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole 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

CID 157388239
CID 157388239
2,8-dimethyldibenzofuran;2,7-dimethyl-9,9-diphenylfluorene;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;2,7-dimethyl-9H-fluorene;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 157887919
2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;2,7-dimethyl-9H-fluorene;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;2,7,9-trimethyl-9-phenylfluorene
CID 158200578
CID 159393370
CID 159393370
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 160933825
9-Methyl-3,6-diphenylcarbazole;2-methyl-3,5-diphenylfuran;3-methyl-2,5-diphenylfuran;2-methyl-1,5-diphenylpyrrole;2-methyl-5-phenylfuran;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenylthiophene;2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;4-methyl-2,5,6-triphenylpyrimidine
CID 161326216
CID 165089079
CID 165089079
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 167339143
1-(1-Benzofuran-2-yl)-2-[3-(1-benzofuran-2-yl)-6-methyl-2-(trifluoromethyl)-1-benzothiophen-5-yl]-3-methylbenzimidazol-3-ium
CID 169300939
Trimethyl-[4-[3-methyl-2-[7-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-[1]benzothiolo[2,3-f][1]benzofuran-8-yl]benzimidazol-3-ium-1-yl]-3,5-di(propan-2-yl)phenyl]silane
CID 172126815
1-Dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
CID 156657230

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole (CID 157374826) is 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole is CC(C)(C)c1ccc(-n2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc32)cc1.CCCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.CCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.Cc1cc(C)c(-n2c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc32)c(C)c1.Cn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole?
The InChIKey is BKEUQCCSUBXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2S.C34H26N2S.C28H22N2O.C27H20N2O.C26H18N2O/c1-35(2,3)25-19-21-26(22-20-25)37-31-13-6-5-12-30(31)36-34(37)24-17-15-23(16-18-24)27-10-8-11-29-28-9-4-7-14-32(28)38-33(27)29;1-21-19-22(2)32(23(3)20-21)36-30-13-6-5-12-29(30)35-34(36)25-17-15-24(16-18-25)26-10-8-11-28-27-9-4-7-14-31(27)37-33(26)28;1-2-18-30-25-12-5-4-11-24(25)29-28(30)20-16-14-19(15-17-20)21-9-7-10-23-22-8-3-6-13-26(22)31-27(21)23;1-2-29-24-12-5-4-11-23(24)28-27(29)19-16-14-18(15-17-19)20-9-7-10-22-21-8-3-6-13-25(21)30-26(20)22;1-28-23-11-4-3-10-22(23)27-26(28)18-15-13-17(14-16-18)19-8-6-9-21-20-7-2-5-12-24(20)29-25(19)21/h4-22H,1-3H3;4-20H,1-3H3;3-17H,2,18H2,1H3;3-17H,2H2,1H3;2-16H,1H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole?
1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole has a molecular weight of 2168.76 g/mol, XLogP of 41.45, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)benzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-ethylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-methylbenzimidazole;2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-1-(2,4,6-trimethylphenyl)benzimidazole is sourced from PubChem (CID 157374826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).