1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine

C14H20N4S — CID 61335164

IUPAC1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESCCc1ccc(-c2cnc(CN3CCNCC3)[nH]2)s1
InChIInChI=1S/C14H20N4S/c1-2-11-3-4-13(19-11)12-9-16-14(17-12)10-18-7-5-15-6-8-18/h3-4,9,15H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyPPOYAWDJFANOKW-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.11
Rot. Bonds4

About 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine

1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine (PubChem CID 61335164) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine
PubChem CID61335164
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESCCc1ccc(-c2cnc(CN3CCNCC3)[nH]2)s1
InChIInChI=1S/C14H20N4S/c1-2-11-3-4-13(19-11)12-9-16-14(17-12)10-18-7-5-15-6-8-18/h3-4,9,15H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyPPOYAWDJFANOKW-UHFFFAOYSA-N
XLogP2.11
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine (CID 61335164) is 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine is CCc1ccc(-c2cnc(CN3CCNCC3)[nH]2)s1.
What is the InChIKey of 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The InChIKey is PPOYAWDJFANOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-11-3-4-13(19-11)12-9-16-14(17-12)10-18-7-5-15-6-8-18/h3-4,9,15H,2,5-8,10H2,1H3,(H,16,17).
What are the key properties of 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine has a molecular weight of 276.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine is sourced from PubChem (CID 61335164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).