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

C17H22N4O — CID 90560576

IUPAC1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-15(22)20-12-9-19(10-13-20)11-14-21-8-7-18-17(21)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKeyAAXVKQBUNVMFFP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.71
Rot. Bonds4

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

1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 90560576) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID90560576
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-15(22)20-12-9-19(10-13-20)11-14-21-8-7-18-17(21)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKeyAAXVKQBUNVMFFP-UHFFFAOYSA-N
XLogP1.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 90560710
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
2-(4-methoxyphenoxy)-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560653
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 90560576) is 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is AAXVKQBUNVMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-15(22)20-12-9-19(10-13-20)11-14-21-8-7-18-17(21)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3.
What are the key properties of 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).