2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole

C34H34N2O — CID 176751448

IUPAC2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
SMILES[2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cccc12
InChIInChI=1S/C34H34N2O/c1-20(2)23-17-18-26-27-13-10-14-28(33(27)37-31(26)19-23)34-35-29-15-7-8-16-30(29)36(34)32-24(21(3)4)11-9-12-25(32)22(5)6/h7-22H,1-6H3/i20D
InChIKeyOQEWQNWBKMXQEK-YVHRXSIGSA-N
MW487.67 g/mol
LogP9.96
Rot. Bonds5

About 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole

2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 176751448) has the molecular formula C34H34N2O and a molecular weight of 487.67 g/mol. Its IUPAC name is 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID176751448
Molecular FormulaC34H34N2O
Molecular Weight487.67 g/mol
Exact Mass487.27
IUPAC Name2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
SMILES[2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cccc12
InChIInChI=1S/C34H34N2O/c1-20(2)23-17-18-26-27-13-10-14-28(33(27)37-31(26)19-23)34-35-29-15-7-8-16-30(29)36(34)32-24(21(3)4)11-9-12-25(32)22(5)6/h7-22H,1-6H3/i20D
InChIKeyOQEWQNWBKMXQEK-YVHRXSIGSA-N
XLogP9.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(7,8-dimethyldibenzofuran-4-yl)benzimidazole
CID 156658516
2-[7-(1,1-dideuterio-2,2-dimethylpropyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156659293
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)benzimidazole
CID 156657597
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole (CID 176751448) is 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole is [2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cccc12.
What is the InChIKey of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is OQEWQNWBKMXQEK-YVHRXSIGSA-N. The full InChI is InChI=1S/C34H34N2O/c1-20(2)23-17-18-26-27-13-10-14-28(33(27)37-31(26)19-23)34-35-29-15-7-8-16-30(29)36(34)32-24(21(3)4)11-9-12-25(32)22(5)6/h7-22H,1-6H3/i20D.
What are the key properties of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 487.67 g/mol, XLogP of 9.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 176751448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).