3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole

C23H17NO — CID 162661777

IUPAC3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole
SMILESc1ccc(C(c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17NO/c1-2-8-16(9-3-1)23(19-15-24-20-12-6-5-11-18(19)20)22-14-17-10-4-7-13-21(17)25-22/h1-15,23-24H
InChIKeyTZSLCNYOCARVNS-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.09
Rot. Bonds3

About 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole

3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole (PubChem CID 162661777) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole
PubChem CID162661777
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole
SMILESc1ccc(C(c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17NO/c1-2-8-16(9-3-1)23(19-15-24-20-12-6-5-11-18(19)20)22-14-17-10-4-7-13-21(17)25-22/h1-15,23-24H
InChIKeyTZSLCNYOCARVNS-UHFFFAOYSA-N
XLogP6.09
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 ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole?
The IUPAC name of 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole (CID 162661777) is 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole?
The canonical SMILES for 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole is c1ccc(C(c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole?
The InChIKey is TZSLCNYOCARVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-2-8-16(9-3-1)23(19-15-24-20-12-6-5-11-18(19)20)22-14-17-10-4-7-13-21(17)25-22/h1-15,23-24H.
What are the key properties of 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole?
3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole has a molecular weight of 323.40 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzofuran-2-yl(phenyl)methyl]-1H-indole is sourced from PubChem (CID 162661777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).