[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone

C24H28N4O2 — CID 90561497

IUPAC[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-2-23-25-12-13-27(23)17-14-26-15-18-28(19-16-26)24(29)21-10-6-7-11-22(21)30-20-8-4-3-5-9-20/h3-13H,2,14-19H2,1H3
InChIKeyWZEPHSUSMWAVHW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.70
Rot. Bonds7

About [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone

[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 90561497) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID90561497
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-2-23-25-12-13-27(23)17-14-26-15-18-28(19-16-26)24(29)21-10-6-7-11-22(21)30-20-8-4-3-5-9-20/h3-13H,2,14-19H2,1H3
InChIKeyWZEPHSUSMWAVHW-UHFFFAOYSA-N
XLogP3.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90561551
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
(3,4-difluorophenyl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561564
N-(4-butoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561886
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561892
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone (CID 90561497) is [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone is CCc1nccn1CCN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is WZEPHSUSMWAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-23-25-12-13-27(23)17-14-26-15-18-28(19-16-26)24(29)21-10-6-7-11-22(21)30-20-8-4-3-5-9-20/h3-13H,2,14-19H2,1H3.
What are the key properties of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 404.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 90561497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).