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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Related Compounds

Zotiraciclib
CID 16739650
E 5324
CID 132377
N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide
CID 135314117
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
SB 590885
CID 135564599
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
CID 135398506
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355

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).