3-(2-benzyl-1-benzofuran-3-yl)-1H-indole

C23H17NO — CID 70677163

IUPAC3-(2-benzyl-1-benzofuran-3-yl)-1H-indole
SMILESc1ccc(Cc2oc3ccccc3c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17NO/c1-2-8-16(9-3-1)14-22-23(18-11-5-7-13-21(18)25-22)19-15-24-20-12-6-4-10-17(19)20/h1-13,15,24H,14H2
InChIKeyGCPYWTGRMBOIDT-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.17
Rot. Bonds3

About 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole

3-(2-benzyl-1-benzofuran-3-yl)-1H-indole (PubChem CID 70677163) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(2-benzyl-1-benzofuran-3-yl)-1H-indole
PubChem CID70677163
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name3-(2-benzyl-1-benzofuran-3-yl)-1H-indole
SMILESc1ccc(Cc2oc3ccccc3c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17NO/c1-2-8-16(9-3-1)14-22-23(18-11-5-7-13-21(18)25-22)19-15-24-20-12-6-4-10-17(19)20/h1-13,15,24H,14H2
InChIKeyGCPYWTGRMBOIDT-UHFFFAOYSA-N
XLogP6.17
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Go 6983
CID 3499
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
CID 3385437
5-Benzyloxyindole-3-acetic acid
CID 96340
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
Bis(1H-2-indolyl)methanone deriv. 60
CID 5330555
N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4-(pyridin-4-yl)benzene-1-sulfonamide
CID 24825414
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole?
The IUPAC name of 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole (CID 70677163) is 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole.
What is the SMILES notation for 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole?
The canonical SMILES for 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole is c1ccc(Cc2oc3ccccc3c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole?
The InChIKey is GCPYWTGRMBOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-2-8-16(9-3-1)14-22-23(18-11-5-7-13-21(18)25-22)19-15-24-20-12-6-4-10-17(19)20/h1-13,15,24H,14H2.
What are the key properties of 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole?
3-(2-benzyl-1-benzofuran-3-yl)-1H-indole has a molecular weight of 323.40 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-1-benzofuran-3-yl)-1H-indole is sourced from PubChem (CID 70677163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).