8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine

C33H22F3N3O — CID 156669597

IUPAC8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1c(-c2cccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21
InChIInChI=1S/C33H22F3N3O/c1-19-17-22(21-9-4-3-5-10-21)18-20(2)29(19)39-27-14-7-6-13-26(27)37-31(39)25-12-8-11-23-24-15-16-28(33(34,35)36)38-32(24)40-30(23)25/h3-18H,1-2H3
InChIKeyJXSVLNUMSJKFCD-UHFFFAOYSA-N
MW533.55 g/mol
LogP9.29
Rot. Bonds3

About 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669597) has the molecular formula C33H22F3N3O and a molecular weight of 533.55 g/mol. Its IUPAC name is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID156669597
Molecular FormulaC33H22F3N3O
Molecular Weight533.55 g/mol
Exact Mass533.17
IUPAC Name8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1c(-c2cccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21
InChIInChI=1S/C33H22F3N3O/c1-19-17-22(21-9-4-3-5-10-21)18-20(2)29(19)39-27-14-7-6-13-26(27)37-31(39)25-12-8-11-23-24-15-16-28(33(34,35)36)38-32(24)40-30(23)25/h3-18H,1-2H3
InChIKeyJXSVLNUMSJKFCD-UHFFFAOYSA-N
XLogP9.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine 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

8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156670151
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051825
8-[1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(3,5-ditert-butylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 176646015
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
4-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 161367305
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-16-(trideuteriomethyl)-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene
CID 176823158

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine (CID 156669597) is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2cccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.
What is the InChIKey of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is JXSVLNUMSJKFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F3N3O/c1-19-17-22(21-9-4-3-5-10-21)18-20(2)29(19)39-27-14-7-6-13-26(27)37-31(39)25-12-8-11-23-24-15-16-28(33(34,35)36)38-32(24)40-30(23)25/h3-18H,1-2H3.
What are the key properties of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 533.55 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).