2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol

C41H40N2O2 — CID 167356162

IUPAC2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1-n1c(-c2cccc3c2oc2cc(C(C)(C)O)ccc23)nc2ccccc21
InChIInChI=1S/C41H40N2O2/c1-25(2)32-22-28(40(3,4)5)23-33(26-14-9-8-10-15-26)37(32)43-35-19-12-11-18-34(35)42-39(43)31-17-13-16-30-29-21-20-27(41(6,7)44)24-36(29)45-38(30)31/h8-25,44H,1-7H3
InChIKeyRLTDHGPSIKCJSS-UHFFFAOYSA-N
MW592.78 g/mol
LogP10.91
Rot. Bonds5

About 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol

2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol (PubChem CID 167356162) has the molecular formula C41H40N2O2 and a molecular weight of 592.78 g/mol. Its IUPAC name is 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol
PubChem CID167356162
Molecular FormulaC41H40N2O2
Molecular Weight592.78 g/mol
Exact Mass592.31
IUPAC Name2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1-n1c(-c2cccc3c2oc2cc(C(C)(C)O)ccc23)nc2ccccc21
InChIInChI=1S/C41H40N2O2/c1-25(2)32-22-28(40(3,4)5)23-33(26-14-9-8-10-15-26)37(32)43-35-19-12-11-18-34(35)42-39(43)31-17-13-16-30-29-21-20-27(41(6,7)44)24-36(29)45-38(30)31/h8-25,44H,1-7H3
InChIKeyRLTDHGPSIKCJSS-UHFFFAOYSA-N
XLogP10.91
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.78
LogP ≤ 510.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-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)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624322
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
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-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
2-[7-(1,1-dideuterio-2,2-dimethylpropyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156659293
2-tert-butyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 176752076
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-2-(7-methyldibenzothiophen-4-yl)benzimidazole
CID 171435785
2-tert-butyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 176752045
1-[1,3-di(propan-2-yl)triphenylen-2-yl]-2-[7-(trifluoromethyl)dibenzofuran-4-yl]benzimidazole
CID 170520930

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol (CID 167356162) is 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol is CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1-n1c(-c2cccc3c2oc2cc(C(C)(C)O)ccc23)nc2ccccc21.
What is the InChIKey of 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol?
The InChIKey is RLTDHGPSIKCJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N2O2/c1-25(2)32-22-28(40(3,4)5)23-33(26-14-9-8-10-15-26)37(32)43-35-19-12-11-18-34(35)42-39(43)31-17-13-16-30-29-21-20-27(41(6,7)44)24-36(29)45-38(30)31/h8-25,44H,1-7H3.
What are the key properties of 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol?
2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol has a molecular weight of 592.78 g/mol, XLogP of 10.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol is sourced from PubChem (CID 167356162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).