1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide

C14H20Cl2I2N4 — CID 91800805

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide
SMILESClc1ccc(CN2CCN(C3=NCCN3)CC2)cc1Cl.I.I
InChIInChI=1S/C14H18Cl2N4.2HI/c15-12-2-1-11(9-13(12)16)10-19-5-7-20(8-6-19)14-17-3-4-18-14;;/h1-2,9H,3-8,10H2,(H,17,18);2*1H
InChIKeyDOZKZQCLRZLRTF-UHFFFAOYSA-N
MW569.06 g/mol
LogP3.31
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide

1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide (PubChem CID 91800805) has the molecular formula C14H20Cl2I2N4 and a molecular weight of 569.06 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide
PubChem CID91800805
Molecular FormulaC14H20Cl2I2N4
Molecular Weight569.06 g/mol
Exact Mass567.92
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide
SMILESClc1ccc(CN2CCN(C3=NCCN3)CC2)cc1Cl.I.I
InChIInChI=1S/C14H18Cl2N4.2HI/c15-12-2-1-11(9-13(12)16)10-19-5-7-20(8-6-19)14-17-3-4-18-14;;/h1-2,9H,3-8,10H2,(H,17,18);2*1H
InChIKeyDOZKZQCLRZLRTF-UHFFFAOYSA-N
XLogP3.31
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.06
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide (CID 91800805) is 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide is Clc1ccc(CN2CCN(C3=NCCN3)CC2)cc1Cl.I.I.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide?
The InChIKey is DOZKZQCLRZLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4.2HI/c15-12-2-1-11(9-13(12)16)10-19-5-7-20(8-6-19)14-17-3-4-18-14;;/h1-2,9H,3-8,10H2,(H,17,18);2*1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide?
1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide has a molecular weight of 569.06 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine;dihydroiodide is sourced from PubChem (CID 91800805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).