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

C14H19Cl3N4 — CID 70620008

IUPAC1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(C2=NCC(c3ccc(Cl)cc3Cl)N2)CC1.Cl
InChIInChI=1S/C14H18Cl2N4.ClH/c1-19-4-6-20(7-5-19)14-17-9-13(18-14)11-3-2-10(15)8-12(11)16;/h2-3,8,13H,4-7,9H2,1H3,(H,17,18);1H
InChIKeyTUESBJUGKHPYOF-UHFFFAOYSA-N
MW349.69 g/mol
LogP2.66
Rot. Bonds1

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

1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride (PubChem CID 70620008) has the molecular formula C14H19Cl3N4 and a molecular weight of 349.69 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
PubChem CID70620008
Molecular FormulaC14H19Cl3N4
Molecular Weight349.69 g/mol
Exact Mass348.07
IUPAC Name1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(C2=NCC(c3ccc(Cl)cc3Cl)N2)CC1.Cl
InChIInChI=1S/C14H18Cl2N4.ClH/c1-19-4-6-20(7-5-19)14-17-9-13(18-14)11-3-2-10(15)8-12(11)16;/h2-3,8,13H,4-7,9H2,1H3,(H,17,18);1H
InChIKeyTUESBJUGKHPYOF-UHFFFAOYSA-N
XLogP2.66
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride (CID 70620008) is 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride is CN1CCN(C2=NCC(c3ccc(Cl)cc3Cl)N2)CC1.Cl.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride?
The InChIKey is TUESBJUGKHPYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4.ClH/c1-19-4-6-20(7-5-19)14-17-9-13(18-14)11-3-2-10(15)8-12(11)16;/h2-3,8,13H,4-7,9H2,1H3,(H,17,18);1H.
What are the key properties of 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride?
1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride has a molecular weight of 349.69 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 70620008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).