4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole

C19H15N5O — CID 70786983

IUPAC4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole
SMILESc1ccc2c(c1)oc1c(-c3nccn3CCn3cnnc3)cccc12
InChIInChI=1S/C19H15N5O/c1-2-7-17-14(4-1)15-5-3-6-16(18(15)25-17)19-20-8-9-24(19)11-10-23-12-21-22-13-23/h1-9,12-13H,10-11H2
InChIKeyXHCHYNIELBZWJV-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.74
Rot. Bonds4

About 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole

4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole (PubChem CID 70786983) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole
PubChem CID70786983
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole
SMILESc1ccc2c(c1)oc1c(-c3nccn3CCn3cnnc3)cccc12
InChIInChI=1S/C19H15N5O/c1-2-7-17-14(4-1)15-5-3-6-16(18(15)25-17)19-20-8-9-24(19)11-10-23-12-21-22-13-23/h1-9,12-13H,10-11H2
InChIKeyXHCHYNIELBZWJV-UHFFFAOYSA-N
XLogP3.74
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)-1-methylimidazole
CID 176787781
5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
CID 56759712
2-dibenzofuran-4-ylpyridine
CID 59500175
1-methyl-2-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)imidazole
CID 176787685
6-dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol
CID 168843921
2-dibenzofuran-4-yl-1H-imidazole
CID 123662099
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-dibenzofuran-4-yl-1,6-dimethylimidazo[4,5-c]pyridine
CID 156657410
4-[6-(1-methylimidazol-2-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
CID 176787889
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole (CID 70786983) is 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole is c1ccc2c(c1)oc1c(-c3nccn3CCn3cnnc3)cccc12.
What is the InChIKey of 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole?
The InChIKey is XHCHYNIELBZWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-2-7-17-14(4-1)15-5-3-6-16(18(15)25-17)19-20-8-9-24(19)11-10-23-12-21-22-13-23/h1-9,12-13H,10-11H2.
What are the key properties of 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole?
4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole has a molecular weight of 329.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 70786983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).