1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine

C26H28N4O — CID 22115706

IUPAC1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine
SMILESCCN1CCN(c2cccc3ccc(OC(c4ccccc4)c4cnc[nH]4)cc23)CC1
InChIInChI=1S/C26H28N4O/c1-2-29-13-15-30(16-14-29)25-10-6-9-20-11-12-22(17-23(20)25)31-26(24-18-27-19-28-24)21-7-4-3-5-8-21/h3-12,17-19,26H,2,13-16H2,1H3,(H,27,28)
InChIKeyHNMCLMJKGRVJIP-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.87
Rot. Bonds6

About 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine

1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine (PubChem CID 22115706) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine
PubChem CID22115706
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine
SMILESCCN1CCN(c2cccc3ccc(OC(c4ccccc4)c4cnc[nH]4)cc23)CC1
InChIInChI=1S/C26H28N4O/c1-2-29-13-15-30(16-14-29)25-10-6-9-20-11-12-22(17-23(20)25)31-26(24-18-27-19-28-24)21-7-4-3-5-8-21/h3-12,17-19,26H,2,13-16H2,1H3,(H,27,28)
InChIKeyHNMCLMJKGRVJIP-UHFFFAOYSA-N
XLogP4.87
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine (CID 22115706) is 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine is CCN1CCN(c2cccc3ccc(OC(c4ccccc4)c4cnc[nH]4)cc23)CC1.
What is the InChIKey of 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine?
The InChIKey is HNMCLMJKGRVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-2-29-13-15-30(16-14-29)25-10-6-9-20-11-12-22(17-23(20)25)31-26(24-18-27-19-28-24)21-7-4-3-5-8-21/h3-12,17-19,26H,2,13-16H2,1H3,(H,27,28).
What are the key properties of 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine?
1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine has a molecular weight of 412.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 22115706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).