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

C25H30N4O2 — CID 90560608

IUPAC[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-20(2)31-23-10-8-22(9-11-23)25(30)29-18-15-27(16-19-29)14-17-28-13-12-26-24(28)21-6-4-3-5-7-21/h3-13,20H,14-19H2,1-2H3
InChIKeyMVKLJKAGFKWRFS-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.80
Rot. Bonds7

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

[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 90560608) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID90560608
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-20(2)31-23-10-8-22(9-11-23)25(30)29-18-15-27(16-19-29)14-17-28-13-12-26-24(28)21-6-4-3-5-7-21/h3-13,20H,14-19H2,1-2H3
InChIKeyMVKLJKAGFKWRFS-UHFFFAOYSA-N
XLogP3.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
[4-(imidazol-1-ylmethyl)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560553
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617
(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
3-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzonitrile
CID 90560720
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
[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

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 90560608) is [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is MVKLJKAGFKWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-20(2)31-23-10-8-22(9-11-23)25(30)29-18-15-27(16-19-29)14-17-28-13-12-26-24(28)21-6-4-3-5-7-21/h3-13,20H,14-19H2,1-2H3.
What are the key properties of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 418.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 90560608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).