2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone

C19H20N4O — CID 146449666

IUPAC2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone
SMILESO=C(C(c1ccc2ccccc2c1)c1ncc[nH]1)N1CCNCC1
InChIInChI=1S/C19H20N4O/c24-19(23-11-9-20-10-12-23)17(18-21-7-8-22-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13,17,20H,9-12H2,(H,21,22)
InChIKeyKEQGWTXNYMEJTF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.13
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone

2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone (PubChem CID 146449666) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone
PubChem CID146449666
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone
SMILESO=C(C(c1ccc2ccccc2c1)c1ncc[nH]1)N1CCNCC1
InChIInChI=1S/C19H20N4O/c24-19(23-11-9-20-10-12-23)17(18-21-7-8-22-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13,17,20H,9-12H2,(H,21,22)
InChIKeyKEQGWTXNYMEJTF-UHFFFAOYSA-N
XLogP2.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone (CID 146449666) is 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone is O=C(C(c1ccc2ccccc2c1)c1ncc[nH]1)N1CCNCC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone?
The InChIKey is KEQGWTXNYMEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(23-11-9-20-10-12-23)17(18-21-7-8-22-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13,17,20H,9-12H2,(H,21,22).
What are the key properties of 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone?
2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone has a molecular weight of 320.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-naphthalen-2-yl-1-piperazin-1-ylethanone is sourced from PubChem (CID 146449666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).