1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole

C26H20N2O — CID 140714920

IUPAC1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole
SMILESCN1CN(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccccc21
InChIInChI=1S/C26H20N2O/c1-27-17-28(24-11-4-3-10-23(24)27)20-8-6-7-18(15-20)19-13-14-22-21-9-2-5-12-25(21)29-26(22)16-19/h2-16H,17H2,1H3
InChIKeyGHGVWIWGAZYHEP-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.80
Rot. Bonds2

About 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole

1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole (PubChem CID 140714920) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole.

Molecular Properties

Compound Name1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole
PubChem CID140714920
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole
SMILESCN1CN(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccccc21
InChIInChI=1S/C26H20N2O/c1-27-17-28(24-11-4-3-10-23(24)27)20-8-6-7-18(15-20)19-13-14-22-21-9-2-5-12-25(21)29-26(22)16-19/h2-16H,17H2,1H3
InChIKeyGHGVWIWGAZYHEP-UHFFFAOYSA-N
XLogP6.80
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
CID 59307444
3-(3-methylphenyl)dibenzofuran
CID 70924364
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
5-dibenzofuran-2-yl-1,4-dimethyl-3-phenyl-2H-imidazole
CID 140714594
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109

Frequently Asked Questions

What is the IUPAC name of 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole?
The IUPAC name of 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole (CID 140714920) is 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole.
What is the SMILES notation for 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole?
The canonical SMILES for 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole is CN1CN(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccccc21.
What is the InChIKey of 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole?
The InChIKey is GHGVWIWGAZYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c1-27-17-28(24-11-4-3-10-23(24)27)20-8-6-7-18(15-20)19-13-14-22-21-9-2-5-12-25(21)29-26(22)16-19/h2-16H,17H2,1H3.
What are the key properties of 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole?
1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole has a molecular weight of 376.46 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole is sourced from PubChem (CID 140714920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).