1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole

C199H146N12O6 — CID 157255671

IUPAC1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
SMILESCC(C)(C)c1ccc(-n2c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc3ccccc32)cc1.CC(C)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.CCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.Cc1c(-c2cccc3c2oc2ccccc23)cccc1-c1nc2ccccc2n1-c1ccccc1.Cc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.Cc1cc(C)c(-c2nc3ccccc3n2-c2ccccc2)cc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H28N2O.C34H26N2O.2C33H24N2O.2C32H22N2O/c1-35(2,3)25-18-20-26(21-19-25)37-31-16-6-5-15-30(31)36-34(37)24-11-8-10-23(22-24)27-13-9-14-29-28-12-4-7-17-32(28)38-33(27)29;1-22(2)23-19-24(27-14-10-15-29-28-13-6-9-18-32(28)37-33(27)29)21-25(20-23)34-35-30-16-7-8-17-31(30)36(34)26-11-4-3-5-12-26;1-21-19-22(2)28(33-34-29-16-7-8-17-30(29)35(33)23-11-4-3-5-12-23)20-27(21)26-15-10-14-25-24-13-6-9-18-31(24)36-32(25)26;1-2-22-19-23(26-14-10-15-28-27-13-6-9-18-31(27)36-32(26)28)21-24(20-22)33-34-29-16-7-8-17-30(29)35(33)25-11-4-3-5-12-25;1-21-23(26-16-10-17-27-25-13-5-8-20-30(25)35-31(26)27)14-9-15-24(21)32-33-28-18-6-7-19-29(28)34(32)22-11-3-2-4-12-22;1-21-18-22(25-13-9-14-27-26-12-5-8-17-30(26)35-31(25)27)20-23(19-21)32-33-28-15-6-7-16-29(28)34(32)24-10-3-2-4-11-24/h4-22H,1-3H3;3-22H,1-2H3;3-20H,1-2H3;3-21H,2H2,1H3;2*2-20H,1H3
InChIKeyAWWCMMYRHNSCJO-UHFFFAOYSA-N
MW2801.43 g/mol
LogP53.77
Rot. Bonds20

About 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole

1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole (PubChem CID 157255671) has the molecular formula C199H146N12O6 and a molecular weight of 2801.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
PubChem CID157255671
Molecular FormulaC199H146N12O6
Molecular Weight2801.43 g/mol
Exact Mass2799.15
IUPAC Name1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
SMILESCC(C)(C)c1ccc(-n2c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc3ccccc32)cc1.CC(C)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.CCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.Cc1c(-c2cccc3c2oc2ccccc23)cccc1-c1nc2ccccc2n1-c1ccccc1.Cc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.Cc1cc(C)c(-c2nc3ccccc3n2-c2ccccc2)cc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H28N2O.C34H26N2O.2C33H24N2O.2C32H22N2O/c1-35(2,3)25-18-20-26(21-19-25)37-31-16-6-5-15-30(31)36-34(37)24-11-8-10-23(22-24)27-13-9-14-29-28-12-4-7-17-32(28)38-33(27)29;1-22(2)23-19-24(27-14-10-15-29-28-13-6-9-18-32(28)37-33(27)29)21-25(20-23)34-35-30-16-7-8-17-31(30)36(34)26-11-4-3-5-12-26;1-21-19-22(2)28(33-34-29-16-7-8-17-30(29)35(33)23-11-4-3-5-12-23)20-27(21)26-15-10-14-25-24-13-6-9-18-31(24)36-32(25)26;1-2-22-19-23(26-14-10-15-28-27-13-6-9-18-31(27)36-32(26)28)21-24(20-22)33-34-29-16-7-8-17-30(29)35(33)25-11-4-3-5-12-25;1-21-23(26-16-10-17-27-25-13-5-8-20-30(25)35-31(26)27)14-9-15-24(21)32-33-28-18-6-7-19-29(28)34(32)22-11-3-2-4-12-22;1-21-18-22(25-13-9-14-27-26-12-5-8-17-30(26)35-31(25)27)20-23(19-21)32-33-28-15-6-7-16-29(28)34(32)24-10-3-2-4-11-24/h4-22H,1-3H3;3-22H,1-2H3;3-20H,1-2H3;3-21H,2H2,1H3;2*2-20H,1H3
InChIKeyAWWCMMYRHNSCJO-UHFFFAOYSA-N
XLogP53.77
TPSA185.76 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002801.43
LogP ≤ 553.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole with MolForge

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Related Compounds

2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162655764
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162643142
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide
CID 162652217
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 162653771
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-5,6-dimethylbenzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide
CID 162659765
N-acetyl-N-[4-[4-[5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]acetamide
CID 57957953
N-acetyl-N-[4-[4-[5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]acetamide
CID 58443995
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276711
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276731
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276735
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276741
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276746

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole (CID 157255671) is 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole is CC(C)(C)c1ccc(-n2c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc3ccccc32)cc1.CC(C)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.CCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.Cc1c(-c2cccc3c2oc2ccccc23)cccc1-c1nc2ccccc2n1-c1ccccc1.Cc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1.Cc1cc(C)c(-c2nc3ccccc3n2-c2ccccc2)cc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole?
The InChIKey is AWWCMMYRHNSCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O.C34H26N2O.2C33H24N2O.2C32H22N2O/c1-35(2,3)25-18-20-26(21-19-25)37-31-16-6-5-15-30(31)36-34(37)24-11-8-10-23(22-24)27-13-9-14-29-28-12-4-7-17-32(28)38-33(27)29;1-22(2)23-19-24(27-14-10-15-29-28-13-6-9-18-32(28)37-33(27)29)21-25(20-23)34-35-30-16-7-8-17-31(30)36(34)26-11-4-3-5-12-26;1-21-19-22(2)28(33-34-29-16-7-8-17-30(29)35(33)23-11-4-3-5-12-23)20-27(21)26-15-10-14-25-24-13-6-9-18-31(24)36-32(25)26;1-2-22-19-23(26-14-10-15-28-27-13-6-9-18-31(27)36-32(26)28)21-24(20-22)33-34-29-16-7-8-17-30(29)35(33)25-11-4-3-5-12-25;1-21-23(26-16-10-17-27-25-13-5-8-20-30(25)35-31(26)27)14-9-15-24(21)32-33-28-18-6-7-19-29(28)34(32)22-11-3-2-4-12-22;1-21-18-22(25-13-9-14-27-26-12-5-8-17-30(26)35-31(25)27)20-23(19-21)32-33-28-15-6-7-16-29(28)34(32)24-10-3-2-4-11-24/h4-22H,1-3H3;3-22H,1-2H3;3-20H,1-2H3;3-21H,2H2,1H3;2*2-20H,1H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole?
1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole has a molecular weight of 2801.43 g/mol, XLogP of 53.77, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3-dibenzofuran-4-ylphenyl)benzimidazole;2-(5-dibenzofuran-4-yl-2,4-dimethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-ethylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-2-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-methylphenyl)-1-phenylbenzimidazole;2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole is sourced from PubChem (CID 157255671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).