2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine

C11H19ClN4 — CID 115415877

IUPAC2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(Cc2ncc(CCl)[nH]2)C1
InChIInChI=1S/C11H19ClN4/c1-15-3-4-16(2)10(8-15)5-11-13-7-9(6-12)14-11/h7,10H,3-6,8H2,1-2H3,(H,13,14)
InChIKeySRCYNBXGIWASJP-UHFFFAOYSA-N
MW242.75 g/mol
LogP0.94
Rot. Bonds3

About 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine

2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine (PubChem CID 115415877) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
PubChem CID115415877
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(Cc2ncc(CCl)[nH]2)C1
InChIInChI=1S/C11H19ClN4/c1-15-3-4-16(2)10(8-15)5-11-13-7-9(6-12)14-11/h7,10H,3-6,8H2,1-2H3,(H,13,14)
InChIKeySRCYNBXGIWASJP-UHFFFAOYSA-N
XLogP0.94
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478000
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propyl-1H-pyrimidin-6-one
CID 137011840
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481707
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
2-(2-chloroethyl)-1,4-dimethylpiperazine
CID 178030673
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 137011850
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480675
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115415698
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 115415783

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine?
The IUPAC name of 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine (CID 115415877) is 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine.
What is the SMILES notation for 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine?
The canonical SMILES for 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine is CN1CCN(C)C(Cc2ncc(CCl)[nH]2)C1.
What is the InChIKey of 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine?
The InChIKey is SRCYNBXGIWASJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-15-3-4-16(2)10(8-15)5-11-13-7-9(6-12)14-11/h7,10H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine?
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine has a molecular weight of 242.75 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine is sourced from PubChem (CID 115415877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).