methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate

C18H24N4O2 — CID 90560846

IUPACmethyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-24-17(23)15-21-11-9-20(10-12-21)13-14-22-8-7-19-18(22)16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeySGEUFEOGCZAYGS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.34
Rot. Bonds6

About methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate

methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate (PubChem CID 90560846) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
PubChem CID90560846
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namemethyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-24-17(23)15-21-11-9-20(10-12-21)13-14-22-8-7-19-18(22)16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeySGEUFEOGCZAYGS-UHFFFAOYSA-N
XLogP1.34
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
2-(4-methoxyphenoxy)-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560653
N-(4-fluorophenyl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560761
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90560854
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560742
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate (CID 90560846) is methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
The InChIKey is SGEUFEOGCZAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-17(23)15-21-11-9-20(10-12-21)13-14-22-8-7-19-18(22)16-5-3-2-4-6-16/h2-8H,9-15H2,1H3.
What are the key properties of methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate has a molecular weight of 328.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 90560846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).