1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine

C9H16N4 — CID 116881081

IUPAC1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
SMILESCc1cnc(C2CNCCN2C)[nH]1
InChIInChI=1S/C9H16N4/c1-7-5-11-9(12-7)8-6-10-3-4-13(8)2/h5,8,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyBPNZHALFRNORLT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.29
Rot. Bonds1

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

1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine (PubChem CID 116881081) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
PubChem CID116881081
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
SMILESCc1cnc(C2CNCCN2C)[nH]1
InChIInChI=1S/C9H16N4/c1-7-5-11-9(12-7)8-6-10-3-4-13(8)2/h5,8,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyBPNZHALFRNORLT-UHFFFAOYSA-N
XLogP0.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[5-(2-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881093
1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine
CID 116881089
(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 96902399
1-methyl-2-(5-methyl-1H-imidazol-4-yl)piperazine
CID 22412103
4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901849
3-methyl-6-(1-methylpiperazin-2-yl)quinoline
CID 116997812
1-methyl-2-(3-methylthiophen-2-yl)piperazine
CID 116963174
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine (CID 116881081) is 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine is Cc1cnc(C2CNCCN2C)[nH]1.
What is the InChIKey of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine?
The InChIKey is BPNZHALFRNORLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-5-11-9(12-7)8-6-10-3-4-13(8)2/h5,8,10H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine?
1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 116881081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).