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

C37H31FN2O — CID 156657266

IUPAC2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccc(F)c3c2oc2ccccc23)nc2ccccc21
InChIInChI=1S/C37H31FN2O/c1-22(2)28-20-25(24-12-6-5-7-13-24)21-29(23(3)4)35(28)40-32-16-10-9-15-31(32)39-37(40)27-18-19-30(38)34-26-14-8-11-17-33(26)41-36(27)34/h5-23H,1-4H3
InChIKeyOYQQOEIWGQYYBL-UHFFFAOYSA-N
MW538.67 g/mol
LogP10.64
Rot. Bonds5

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

2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 156657266) has the molecular formula C37H31FN2O and a molecular weight of 538.67 g/mol. Its IUPAC name is 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID156657266
Molecular FormulaC37H31FN2O
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC Name2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccc(F)c3c2oc2ccccc23)nc2ccccc21
InChIInChI=1S/C37H31FN2O/c1-22(2)28-20-25(24-12-6-5-7-13-24)21-29(23(3)4)35(28)40-32-16-10-9-15-31(32)39-37(40)27-18-19-30(38)34-26-14-8-11-17-33(26)41-36(27)34/h5-23H,1-4H3
InChIKeyOYQQOEIWGQYYBL-UHFFFAOYSA-N
XLogP10.64
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (CID 156657266) is 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccc(F)c3c2oc2ccccc23)nc2ccccc21.
What is the InChIKey of 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is OYQQOEIWGQYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31FN2O/c1-22(2)28-20-25(24-12-6-5-7-13-24)21-29(23(3)4)35(28)40-32-16-10-9-15-31(32)39-37(40)27-18-19-30(38)34-26-14-8-11-17-33(26)41-36(27)34/h5-23H,1-4H3.
What are the key properties of 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 538.67 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 156657266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).