2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride

C23H28Cl3N5O2 — CID 45284386

IUPAC2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride
SMILESCCOc1ccccc1NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C23H26ClN5O2.2ClH/c1-2-31-21-9-4-3-8-20(21)26-22(30)17-27-12-14-28(15-13-27)23-25-10-11-29(23)19-7-5-6-18(24)16-19;;/h3-11,16H,2,12-15,17H2,1H3,(H,26,30);2*1H
InChIKeyKAUVFHLCUOLFBG-UHFFFAOYSA-N
MW512.87 g/mol
LogP4.53
Rot. Bonds7

About 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride

2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride (PubChem CID 45284386) has the molecular formula C23H28Cl3N5O2 and a molecular weight of 512.87 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride
PubChem CID45284386
Molecular FormulaC23H28Cl3N5O2
Molecular Weight512.87 g/mol
Exact Mass511.13
IUPAC Name2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride
SMILESCCOc1ccccc1NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C23H26ClN5O2.2ClH/c1-2-31-21-9-4-3-8-20(21)26-22(30)17-27-12-14-28(15-13-27)23-25-10-11-29(23)19-7-5-6-18(24)16-19;;/h3-11,16H,2,12-15,17H2,1H3,(H,26,30);2*1H
InChIKeyKAUVFHLCUOLFBG-UHFFFAOYSA-N
XLogP4.53
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride (CID 45284386) is 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride is CCOc1ccccc1NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride?
The InChIKey is KAUVFHLCUOLFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2.2ClH/c1-2-31-21-9-4-3-8-20(21)26-22(30)17-27-12-14-28(15-13-27)23-25-10-11-29(23)19-7-5-6-18(24)16-19;;/h3-11,16H,2,12-15,17H2,1H3,(H,26,30);2*1H.
What are the key properties of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride?
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride has a molecular weight of 512.87 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 45284386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).