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

C31H28N2O — CID 156656991

IUPAC2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3oc4ccccc4c3c2)nc2ccccc21
InChIInChI=1S/C31H28N2O/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29/h5-20H,1-4H3
InChIKeyWDJXCISSEQTTGJ-UHFFFAOYSA-N
MW444.58 g/mol
LogP8.84
Rot. Bonds4

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

2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 156656991) has the molecular formula C31H28N2O and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID156656991
Molecular FormulaC31H28N2O
Molecular Weight444.58 g/mol
Exact Mass444.22
IUPAC Name2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3oc4ccccc4c3c2)nc2ccccc21
InChIInChI=1S/C31H28N2O/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29/h5-20H,1-4H3
InChIKeyWDJXCISSEQTTGJ-UHFFFAOYSA-N
XLogP8.84
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021034
2-dibenzofuran-2-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657325
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658716
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-dibenzofuran-2-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole
CID 156658880
CID 174120716
CID 174120716
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole (CID 156656991) is 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole is CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3oc4ccccc4c3c2)nc2ccccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is WDJXCISSEQTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O/c1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29/h5-20H,1-4H3.
What are the key properties of 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole?
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 444.58 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 156656991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).