2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid

C24H17NO3 — CID 70103541

IUPAC2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cc1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1
InChIInChI=1S/C24H17NO3/c26-24(27)20-7-3-1-5-15(20)12-19-13-18-11-17(9-10-21(18)25-19)23-14-16-6-2-4-8-22(16)28-23/h1-11,13-14,25H,12H2,(H,26,27)
InChIKeyWLZWQGYNGFVFFG-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.87
Rot. Bonds4

About 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid

2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid (PubChem CID 70103541) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid
PubChem CID70103541
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cc1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1
InChIInChI=1S/C24H17NO3/c26-24(27)20-7-3-1-5-15(20)12-19-13-18-11-17(9-10-21(18)25-19)23-14-16-6-2-4-8-22(16)28-23/h1-11,13-14,25H,12H2,(H,26,27)
InChIKeyWLZWQGYNGFVFFG-UHFFFAOYSA-N
XLogP5.87
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid?
The IUPAC name of 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid (CID 70103541) is 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid is O=C(O)c1ccccc1Cc1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1.
What is the InChIKey of 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid?
The InChIKey is WLZWQGYNGFVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-24(27)20-7-3-1-5-15(20)12-19-13-18-11-17(9-10-21(18)25-19)23-14-16-6-2-4-8-22(16)28-23/h1-11,13-14,25H,12H2,(H,26,27).
What are the key properties of 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid?
2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid has a molecular weight of 367.40 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-benzofuran-2-yl)-1H-indol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 70103541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).