1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine

C10H17ClN4 — CID 117260402

IUPAC1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine
SMILESCCn1c(Cl)cnc1N1CCN(C)CC1
InChIInChI=1S/C10H17ClN4/c1-3-15-9(11)8-12-10(15)14-6-4-13(2)5-7-14/h8H,3-7H2,1-2H3
InChIKeyGTDZYYUJDNOBSW-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.31
Rot. Bonds2

About 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine

1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine (PubChem CID 117260402) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine
PubChem CID117260402
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine
SMILESCCn1c(Cl)cnc1N1CCN(C)CC1
InChIInChI=1S/C10H17ClN4/c1-3-15-9(11)8-12-10(15)14-6-4-13(2)5-7-14/h8H,3-7H2,1-2H3
InChIKeyGTDZYYUJDNOBSW-UHFFFAOYSA-N
XLogP1.31
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-ethylimidazol-2-amine
CID 117260387
3-ethyl-2-piperidin-1-ylimidazol-4-amine
CID 117190590
2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine
CID 117190617
5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
CID 117259483
1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
CID 117259364
5-chloro-N-cyclobutyl-1-ethylimidazol-2-amine
CID 117260383
3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine
CID 117188547
4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
CID 117259171
4-ethyl-3-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82425346

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine (CID 117260402) is 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine is CCn1c(Cl)cnc1N1CCN(C)CC1.
What is the InChIKey of 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine?
The InChIKey is GTDZYYUJDNOBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-3-15-9(11)8-12-10(15)14-6-4-13(2)5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine?
1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine has a molecular weight of 228.73 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine is sourced from PubChem (CID 117260402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).