2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole

C38H34N2O — CID 156658716

IUPAC2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCc1cc(-c2nc3ccccc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc2c1oc1ccccc12
InChIInChI=1S/C38H34N2O/c1-23(2)30-20-27(26-13-7-6-8-14-26)21-31(24(3)4)36(30)40-34-17-11-10-16-33(34)39-38(40)28-19-25(5)37-32(22-28)29-15-9-12-18-35(29)41-37/h6-24H,1-5H3
InChIKeyKHJYRGOINSPGJQ-UHFFFAOYSA-N
MW534.70 g/mol
LogP10.81
Rot. Bonds5

About 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole

2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 156658716) has the molecular formula C38H34N2O and a molecular weight of 534.70 g/mol. Its IUPAC name is 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID156658716
Molecular FormulaC38H34N2O
Molecular Weight534.70 g/mol
Exact Mass534.27
IUPAC Name2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCc1cc(-c2nc3ccccc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc2c1oc1ccccc12
InChIInChI=1S/C38H34N2O/c1-23(2)30-20-27(26-13-7-6-8-14-26)21-31(24(3)4)36(30)40-34-17-11-10-16-33(34)39-38(40)28-19-25(5)37-32(22-28)29-15-9-12-18-35(29)41-37/h6-24H,1-5H3
InChIKeyKHJYRGOINSPGJQ-UHFFFAOYSA-N
XLogP10.81
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
2-(2,4-diphenyl-1-benzofuran-6-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170517078
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-dibenzofuran-2-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657325
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-[9-methyl-7-(trideuteriomethyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 159199965
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242
2-(5,6-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 177263309

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (CID 156658716) is 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is Cc1cc(-c2nc3ccccc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc2c1oc1ccccc12.
What is the InChIKey of 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is KHJYRGOINSPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O/c1-23(2)30-20-27(26-13-7-6-8-14-26)21-31(24(3)4)36(30)40-34-17-11-10-16-33(34)39-38(40)28-19-25(5)37-32(22-28)29-15-9-12-18-35(29)41-37/h6-24H,1-5H3.
What are the key properties of 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 534.70 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 156658716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).