1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine

C22H26N4O — CID 2812864

IUPAC1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C22H26N4O/c1-2-27-21-11-7-6-10-20(21)26-14-12-25(13-15-26)17-19-16-23-22(24-19)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3,(H,23,24)
InChIKeyKIOIKCZXTISYJJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine

1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine (PubChem CID 2812864) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
PubChem CID2812864
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C22H26N4O/c1-2-27-21-11-7-6-10-20(21)26-14-12-25(13-15-26)17-19-16-23-22(24-19)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3,(H,23,24)
InChIKeyKIOIKCZXTISYJJ-UHFFFAOYSA-N
XLogP3.80
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine (CID 2812864) is 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine is CCOc1ccccc1N1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
The InChIKey is KIOIKCZXTISYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-27-21-11-7-6-10-20(21)26-14-12-25(13-15-26)17-19-16-23-22(24-19)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3,(H,23,24).
What are the key properties of 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine?
1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine has a molecular weight of 362.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine is sourced from PubChem (CID 2812864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).