3-(1-benzofuran-2-yl)-1-benzylindole

C23H17NO — CID 135058833

IUPAC3-(1-benzofuran-2-yl)-1-benzylindole
SMILESc1ccc(Cn2cc(-c3cc4ccccc4o3)c3ccccc32)cc1
InChIInChI=1S/C23H17NO/c1-2-8-17(9-3-1)15-24-16-20(19-11-5-6-12-21(19)24)23-14-18-10-4-7-13-22(18)25-23/h1-14,16H,15H2
InChIKeyWLISPCDLVGRASO-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.10
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-1-benzylindole

3-(1-benzofuran-2-yl)-1-benzylindole (PubChem CID 135058833) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-benzylindole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-benzylindole
PubChem CID135058833
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name3-(1-benzofuran-2-yl)-1-benzylindole
SMILESc1ccc(Cn2cc(-c3cc4ccccc4o3)c3ccccc32)cc1
InChIInChI=1S/C23H17NO/c1-2-8-17(9-3-1)15-24-16-20(19-11-5-6-12-21(19)24)23-14-18-10-4-7-13-22(18)25-23/h1-14,16H,15H2
InChIKeyWLISPCDLVGRASO-UHFFFAOYSA-N
XLogP6.10
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
Jwh 081
CID 10547208
Jwh 302
CID 11493740
Jwh 250
CID 44397540
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
NM-2201
CID 91864534
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
5-fluoro-PB-22
CID 72710774

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-benzylindole?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-benzylindole (CID 135058833) is 3-(1-benzofuran-2-yl)-1-benzylindole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-benzylindole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-benzylindole is c1ccc(Cn2cc(-c3cc4ccccc4o3)c3ccccc32)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-benzylindole?
The InChIKey is WLISPCDLVGRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-2-8-17(9-3-1)15-24-16-20(19-11-5-6-12-21(19)24)23-14-18-10-4-7-13-22(18)25-23/h1-14,16H,15H2.
What are the key properties of 3-(1-benzofuran-2-yl)-1-benzylindole?
3-(1-benzofuran-2-yl)-1-benzylindole has a molecular weight of 323.40 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-benzylindole is sourced from PubChem (CID 135058833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).