2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole

C20H14N2O — CID 91181916

IUPAC2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole
SMILESc1c[nH]c(-c2cccc3coc(-c4cc5ccccc5[nH]4)c23)c1
InChIInChI=1S/C20H14N2O/c1-2-8-16-13(5-1)11-18(22-16)20-19-14(12-23-20)6-3-7-15(19)17-9-4-10-21-17/h1-12,21-22H
InChIKeyDPGXLABGJQJLSH-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.58
Rot. Bonds2

About 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole

2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole (PubChem CID 91181916) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole.

Molecular Properties

Compound Name2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole
PubChem CID91181916
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole
SMILESc1c[nH]c(-c2cccc3coc(-c4cc5ccccc5[nH]4)c23)c1
InChIInChI=1S/C20H14N2O/c1-2-8-16-13(5-1)11-18(22-16)20-19-14(12-23-20)6-3-7-15(19)17-9-4-10-21-17/h1-12,21-22H
InChIKeyDPGXLABGJQJLSH-UHFFFAOYSA-N
XLogP5.58
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole?
The IUPAC name of 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole (CID 91181916) is 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole.
What is the SMILES notation for 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole?
The canonical SMILES for 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole is c1c[nH]c(-c2cccc3coc(-c4cc5ccccc5[nH]4)c23)c1.
What is the InChIKey of 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole?
The InChIKey is DPGXLABGJQJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c1-2-8-16-13(5-1)11-18(22-16)20-19-14(12-23-20)6-3-7-15(19)17-9-4-10-21-17/h1-12,21-22H.
What are the key properties of 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole?
2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole has a molecular weight of 298.35 g/mol, XLogP of 5.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole is sourced from PubChem (CID 91181916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).