3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole

C20H16N2O — CID 137490049

IUPAC3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole
SMILESCC1Nc2ccccc2N1c1cccc2c1oc1ccccc12
InChIInChI=1S/C20H16N2O/c1-13-21-16-9-3-4-10-17(16)22(13)18-11-6-8-15-14-7-2-5-12-19(14)23-20(15)18/h2-13,21H,1H3
InChIKeyBLXOLGYMZBRCST-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.50
Rot. Bonds1

About 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole

3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole (PubChem CID 137490049) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole
PubChem CID137490049
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole
SMILESCC1Nc2ccccc2N1c1cccc2c1oc1ccccc12
InChIInChI=1S/C20H16N2O/c1-13-21-16-9-3-4-10-17(16)22(13)18-11-6-8-15-14-7-2-5-12-19(14)23-20(15)18/h2-13,21H,1H3
InChIKeyBLXOLGYMZBRCST-UHFFFAOYSA-N
XLogP5.50
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole (CID 137490049) is 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole is CC1Nc2ccccc2N1c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole?
The InChIKey is BLXOLGYMZBRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-21-16-9-3-4-10-17(16)22(13)18-11-6-8-15-14-7-2-5-12-19(14)23-20(15)18/h2-13,21H,1H3.
What are the key properties of 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole?
3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole has a molecular weight of 300.36 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 137490049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).