2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole

C37H21N5O4 — CID 141196549

IUPAC2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole
SMILESc1ccc2[nH]c(-c3nc4c(-c5occ6ccccc56)c(-c5ncco5)c(-c5ccon5)c(-c5cc6ccccc6o5)c4[nH]3)cc2c1
InChIInChI=1S/C37H21N5O4/c1-4-10-23-22(9-1)19-44-35(23)32-31(37-38-14-16-43-37)29(25-13-15-45-42-25)30(28-18-21-8-3-6-12-27(21)46-28)33-34(32)41-36(40-33)26-17-20-7-2-5-11-24(20)39-26/h1-19,39H,(H,40,41)
InChIKeyCFSASSZDVWAISE-UHFFFAOYSA-N
MW599.61 g/mol
LogP9.85
Rot. Bonds5

About 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole

2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole (PubChem CID 141196549) has the molecular formula C37H21N5O4 and a molecular weight of 599.61 g/mol. Its IUPAC name is 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole
PubChem CID141196549
Molecular FormulaC37H21N5O4
Molecular Weight599.61 g/mol
Exact Mass599.16
IUPAC Name2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole
SMILESc1ccc2[nH]c(-c3nc4c(-c5occ6ccccc56)c(-c5ncco5)c(-c5ccon5)c(-c5cc6ccccc6o5)c4[nH]3)cc2c1
InChIInChI=1S/C37H21N5O4/c1-4-10-23-22(9-1)19-44-35(23)32-31(37-38-14-16-43-37)29(25-13-15-45-42-25)30(28-18-21-8-3-6-12-27(21)46-28)33-34(32)41-36(40-33)26-17-20-7-2-5-11-24(20)39-26/h1-19,39H,(H,40,41)
InChIKeyCFSASSZDVWAISE-UHFFFAOYSA-N
XLogP9.85
TPSA122.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.61
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole (CID 141196549) is 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole is c1ccc2[nH]c(-c3nc4c(-c5occ6ccccc56)c(-c5ncco5)c(-c5ccon5)c(-c5cc6ccccc6o5)c4[nH]3)cc2c1.
What is the InChIKey of 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole?
The InChIKey is CFSASSZDVWAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5O4/c1-4-10-23-22(9-1)19-44-35(23)32-31(37-38-14-16-43-37)29(25-13-15-45-42-25)30(28-18-21-8-3-6-12-27(21)46-28)33-34(32)41-36(40-33)26-17-20-7-2-5-11-24(20)39-26/h1-19,39H,(H,40,41).
What are the key properties of 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole?
2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole has a molecular weight of 599.61 g/mol, XLogP of 9.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 141196549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).