2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole

C51H48N2O — CID 170517102

IUPAC2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(-c3ccc(C4CCCCC4)cc3)c3oc(-c4ccccc4)cc3c2)nc2ccccc21
InChIInChI=1S/C51H48N2O/c1-33(2)43-29-40(36-18-10-6-11-19-36)30-44(34(3)4)49(43)53-47-23-15-14-22-46(47)52-51(53)42-28-41-32-48(39-20-12-7-13-21-39)54-50(41)45(31-42)38-26-24-37(25-27-38)35-16-8-5-9-17-35/h6-7,10-15,18-35H,5,8-9,16-17H2,1-4H3
InChIKeyJELPASUFLXOUNH-UHFFFAOYSA-N
MW704.96 g/mol
LogP14.73
Rot. Bonds8

About 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole

2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 170517102) has the molecular formula C51H48N2O and a molecular weight of 704.96 g/mol. Its IUPAC name is 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID170517102
Molecular FormulaC51H48N2O
Molecular Weight704.96 g/mol
Exact Mass704.38
IUPAC Name2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(-c3ccc(C4CCCCC4)cc3)c3oc(-c4ccccc4)cc3c2)nc2ccccc21
InChIInChI=1S/C51H48N2O/c1-33(2)43-29-40(36-18-10-6-11-19-36)30-44(34(3)4)49(43)53-47-23-15-14-22-46(47)52-51(53)42-28-41-32-48(39-20-12-7-13-21-39)54-50(41)45(31-42)38-26-24-37(25-27-38)35-16-8-5-9-17-35/h6-7,10-15,18-35H,5,8-9,16-17H2,1-4H3
InChIKeyJELPASUFLXOUNH-UHFFFAOYSA-N
XLogP14.73
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.96
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]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

2-(2,4-diphenyl-1-benzofuran-6-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170517078
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658716
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
1,3,5-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156667608
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 169299441
2-(8-methyldibenzothiophen-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657347
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2,8-diphenyl-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 171426352

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (CID 170517102) is 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(-c3ccc(C4CCCCC4)cc3)c3oc(-c4ccccc4)cc3c2)nc2ccccc21.
What is the InChIKey of 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is JELPASUFLXOUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N2O/c1-33(2)43-29-40(36-18-10-6-11-19-36)30-44(34(3)4)49(43)53-47-23-15-14-22-46(47)52-51(53)42-28-41-32-48(39-20-12-7-13-21-39)54-50(41)45(31-42)38-26-24-37(25-27-38)35-16-8-5-9-17-35/h6-7,10-15,18-35H,5,8-9,16-17H2,1-4H3.
What are the key properties of 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 704.96 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-cyclohexylphenyl)-2-phenyl-1-benzofuran-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 170517102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).