1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine

C20H21ClN2O2 — CID 57143779

IUPAC1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
SMILESCOc1ccc(Cl)c2c(N3CCN(C)CC3)c(-c3ccccc3)oc12
InChIInChI=1S/C20H21ClN2O2/c1-22-10-12-23(13-11-22)18-17-15(21)8-9-16(24-2)20(17)25-19(18)14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3
InChIKeyYLVHPFXRVGMJQD-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine

1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine (PubChem CID 57143779) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
PubChem CID57143779
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
SMILESCOc1ccc(Cl)c2c(N3CCN(C)CC3)c(-c3ccccc3)oc12
InChIInChI=1S/C20H21ClN2O2/c1-22-10-12-23(13-11-22)18-17-15(21)8-9-16(24-2)20(17)25-19(18)14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3
InChIKeyYLVHPFXRVGMJQD-UHFFFAOYSA-N
XLogP4.51
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine (CID 57143779) is 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine is COc1ccc(Cl)c2c(N3CCN(C)CC3)c(-c3ccccc3)oc12.
What is the InChIKey of 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
The InChIKey is YLVHPFXRVGMJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-22-10-12-23(13-11-22)18-17-15(21)8-9-16(24-2)20(17)25-19(18)14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3.
What are the key properties of 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine has a molecular weight of 356.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine is sourced from PubChem (CID 57143779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).