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

C24H28N4O2 — CID 90560607

IUPAC(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-2-30-22-11-7-6-10-21(22)24(29)28-18-15-26(16-19-28)14-17-27-13-12-25-23(27)20-8-4-3-5-9-20/h3-13H,2,14-19H2,1H3
InChIKeyIPVVUDUMFFQNQJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.41
Rot. Bonds7

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

(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90560607) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90560607
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-2-30-22-11-7-6-10-21(22)24(29)28-18-15-26(16-19-28)14-17-27-13-12-25-23(27)20-8-4-3-5-9-20/h3-13H,2,14-19H2,1H3
InChIKeyIPVVUDUMFFQNQJ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 90561497
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
[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
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90560607) is (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is IPVVUDUMFFQNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-30-22-11-7-6-10-21(22)24(29)28-18-15-26(16-19-28)14-17-27-13-12-25-23(27)20-8-4-3-5-9-20/h3-13H,2,14-19H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90560607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).