1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine

C12H20N4 — CID 145088392

IUPAC1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine
SMILESC/C=C(\C)c1cnc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C12H20N4/c1-4-10(2)11-9-13-12(14-11)16-7-5-15(3)6-8-16/h4,9H,5-8H2,1-3H3,(H,13,14)/b10-4+
InChIKeyPCGKGJRGKILGHN-ONNFQVAWSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds2

About 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine

1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine (PubChem CID 145088392) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine
PubChem CID145088392
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine
SMILESC/C=C(\C)c1cnc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C12H20N4/c1-4-10(2)11-9-13-12(14-11)16-7-5-15(3)6-8-16/h4,9H,5-8H2,1-3H3,(H,13,14)/b10-4+
InChIKeyPCGKGJRGKILGHN-ONNFQVAWSA-N
XLogP1.58
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine
CID 117189330
N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55177285
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid
CID 117187185
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 70082198
1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
CID 83889456
2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83185847
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 110467506

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine (CID 145088392) is 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine is C/C=C(\C)c1cnc(N2CCN(C)CC2)[nH]1.
What is the InChIKey of 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine?
The InChIKey is PCGKGJRGKILGHN-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-10(2)11-9-13-12(14-11)16-7-5-15(3)6-8-16/h4,9H,5-8H2,1-3H3,(H,13,14)/b10-4+.
What are the key properties of 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine?
1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine is sourced from PubChem (CID 145088392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).