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

C24H19NO — CID 162650870

IUPAC3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C24H19NO/c1-16-23(19-12-6-7-13-20(19)25-16)24(17-9-3-2-4-10-17)22-15-18-11-5-8-14-21(18)26-22/h2-15,24-25H,1H3
InChIKeyKBBAMNFFYMUCOV-UHFFFAOYSA-N
MW337.42 g/mol
LogP6.40
Rot. Bonds3

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

3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole (PubChem CID 162650870) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole
PubChem CID162650870
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C24H19NO/c1-16-23(19-12-6-7-13-20(19)25-16)24(17-9-3-2-4-10-17)22-15-18-11-5-8-14-21(18)26-22/h2-15,24-25H,1H3
InChIKeyKBBAMNFFYMUCOV-UHFFFAOYSA-N
XLogP6.40
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole (CID 162650870) is 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole?
The InChIKey is KBBAMNFFYMUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-16-23(19-12-6-7-13-20(19)25-16)24(17-9-3-2-4-10-17)22-15-18-11-5-8-14-21(18)26-22/h2-15,24-25H,1H3.
What are the key properties of 3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole?
3-[1-benzofuran-2-yl(phenyl)methyl]-2-methyl-1H-indole has a molecular weight of 337.42 g/mol, XLogP of 6.40, 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]-2-methyl-1H-indole is sourced from PubChem (CID 162650870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).