1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine

C22H26N2O — CID 20612350

IUPAC1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
SMILESCc1cccc(C(c2cc3ccccc3o2)N2CC(C)NCC2C)c1
InChIInChI=1S/C22H26N2O/c1-15-7-6-9-19(11-15)22(24-14-16(2)23-13-17(24)3)21-12-18-8-4-5-10-20(18)25-21/h4-12,16-17,22-23H,13-14H2,1-3H3
InChIKeySEWYDRYZTBDAHE-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.51
Rot. Bonds3

About 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine

1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 20612350) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
PubChem CID20612350
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
SMILESCc1cccc(C(c2cc3ccccc3o2)N2CC(C)NCC2C)c1
InChIInChI=1S/C22H26N2O/c1-15-7-6-9-19(11-15)22(24-14-16(2)23-13-17(24)3)21-12-18-8-4-5-10-20(18)25-21/h4-12,16-17,22-23H,13-14H2,1-3H3
InChIKeySEWYDRYZTBDAHE-UHFFFAOYSA-N
XLogP4.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine (CID 20612350) is 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine is Cc1cccc(C(c2cc3ccccc3o2)N2CC(C)NCC2C)c1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is SEWYDRYZTBDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15-7-6-9-19(11-15)22(24-14-16(2)23-13-17(24)3)21-12-18-8-4-5-10-20(18)25-21/h4-12,16-17,22-23H,13-14H2,1-3H3.
What are the key properties of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 334.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 20612350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).