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

C15H20Cl2N4 — CID 10806092

IUPAC4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(Cc2ccc(Cl)cc2Cl)CC1C1=NCCN1
InChIInChI=1S/C15H20Cl2N4/c1-20-6-7-21(10-14(20)15-18-4-5-19-15)9-11-2-3-12(16)8-13(11)17/h2-3,8,14H,4-7,9-10H2,1H3,(H,18,19)
InChIKeySZWREMOBIUBYDP-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.11
Rot. Bonds3

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

4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 10806092) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID10806092
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(Cc2ccc(Cl)cc2Cl)CC1C1=NCCN1
InChIInChI=1S/C15H20Cl2N4/c1-20-6-7-21(10-14(20)15-18-4-5-19-15)9-11-2-3-12(16)8-13(11)17/h2-3,8,14H,4-7,9-10H2,1H3,(H,18,19)
InChIKeySZWREMOBIUBYDP-UHFFFAOYSA-N
XLogP2.11
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine (CID 10806092) is 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(Cc2ccc(Cl)cc2Cl)CC1C1=NCCN1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is SZWREMOBIUBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-20-6-7-21(10-14(20)15-18-4-5-19-15)9-11-2-3-12(16)8-13(11)17/h2-3,8,14H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 327.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 10806092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).