1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine

C16H22Cl2N4 — CID 10831080

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(Cl)cc2Cl)C(CC2=NCCN2)C1
InChIInChI=1S/C16H22Cl2N4/c1-21-6-7-22(10-12-2-3-13(17)8-15(12)18)14(11-21)9-16-19-4-5-20-16/h2-3,8,14H,4-7,9-11H2,1H3,(H,19,20)
InChIKeyXSZICMBQEFAVLI-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.50
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine

1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine (PubChem CID 10831080) has the molecular formula C16H22Cl2N4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine
PubChem CID10831080
Molecular FormulaC16H22Cl2N4
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(Cl)cc2Cl)C(CC2=NCCN2)C1
InChIInChI=1S/C16H22Cl2N4/c1-21-6-7-22(10-12-2-3-13(17)8-15(12)18)14(11-21)9-16-19-4-5-20-16/h2-3,8,14H,4-7,9-11H2,1H3,(H,19,20)
InChIKeyXSZICMBQEFAVLI-UHFFFAOYSA-N
XLogP2.50
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine (CID 10831080) is 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine is CN1CCN(Cc2ccc(Cl)cc2Cl)C(CC2=NCCN2)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine?
The InChIKey is XSZICMBQEFAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N4/c1-21-6-7-22(10-12-2-3-13(17)8-15(12)18)14(11-21)9-16-19-4-5-20-16/h2-3,8,14H,4-7,9-11H2,1H3,(H,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine?
1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine has a molecular weight of 341.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylpiperazine is sourced from PubChem (CID 10831080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).