2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole

C25H21NO2 — CID 162664875

IUPAC2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole
SMILESCOc1ccc(C(c2cc3ccccc3o2)c2[nH]c3ccccc3c2C)cc1
InChIInChI=1S/C25H21NO2/c1-16-20-8-4-5-9-21(20)26-25(16)24(17-11-13-19(27-2)14-12-17)23-15-18-7-3-6-10-22(18)28-23/h3-15,24,26H,1-2H3
InChIKeyTXKYPOQBWLQOHQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP6.41
Rot. Bonds4

About 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole

2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole (PubChem CID 162664875) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole
PubChem CID162664875
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole
SMILESCOc1ccc(C(c2cc3ccccc3o2)c2[nH]c3ccccc3c2C)cc1
InChIInChI=1S/C25H21NO2/c1-16-20-8-4-5-9-21(20)26-25(16)24(17-11-13-19(27-2)14-12-17)23-15-18-7-3-6-10-22(18)28-23/h3-15,24,26H,1-2H3
InChIKeyTXKYPOQBWLQOHQ-UHFFFAOYSA-N
XLogP6.41
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole (CID 162664875) is 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole is COc1ccc(C(c2cc3ccccc3o2)c2[nH]c3ccccc3c2C)cc1.
What is the InChIKey of 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole?
The InChIKey is TXKYPOQBWLQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-16-20-8-4-5-9-21(20)26-25(16)24(17-11-13-19(27-2)14-12-17)23-15-18-7-3-6-10-22(18)28-23/h3-15,24,26H,1-2H3.
What are the key properties of 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole?
2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole has a molecular weight of 367.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-3-methyl-1H-indole is sourced from PubChem (CID 162664875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).