(2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

C19H26N4O2 — CID 71863096

IUPAC(2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)[nH]1
InChIInChI=1S/C19H26N4O2/c1-3-18-20-14-17(21-18)19(24)23-12-10-22(11-13-23)9-8-15-4-6-16(25-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyXVHFKYWWPCOPJE-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.98
Rot. Bonds6

About (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

(2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 71863096) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID71863096
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)[nH]1
InChIInChI=1S/C19H26N4O2/c1-3-18-20-14-17(21-18)19(24)23-12-10-22(11-13-23)9-8-15-4-6-16(25-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyXVHFKYWWPCOPJE-UHFFFAOYSA-N
XLogP1.98
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 71863096) is (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is CCc1ncc(C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)[nH]1.
What is the InChIKey of (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is XVHFKYWWPCOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-18-20-14-17(21-18)19(24)23-12-10-22(11-13-23)9-8-15-4-6-16(25-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,21).
What are the key properties of (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
(2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-imidazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71863096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).