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

C17H24Cl2N4 — CID 10641904

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine
SMILESCCCN1CCN(Cc2ccc(Cl)cc2Cl)C(C2=NCCN2)C1
InChIInChI=1S/C17H24Cl2N4/c1-2-7-22-8-9-23(16(12-22)17-20-5-6-21-17)11-13-3-4-14(18)10-15(13)19/h3-4,10,16H,2,5-9,11-12H2,1H3,(H,20,21)
InChIKeyRDZZVWULKPBWOC-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.89
Rot. Bonds5

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

1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine (PubChem CID 10641904) has the molecular formula C17H24Cl2N4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine
PubChem CID10641904
Molecular FormulaC17H24Cl2N4
Molecular Weight355.31 g/mol
Exact Mass354.14
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine
SMILESCCCN1CCN(Cc2ccc(Cl)cc2Cl)C(C2=NCCN2)C1
InChIInChI=1S/C17H24Cl2N4/c1-2-7-22-8-9-23(16(12-22)17-20-5-6-21-17)11-13-3-4-14(18)10-15(13)19/h3-4,10,16H,2,5-9,11-12H2,1H3,(H,20,21)
InChIKeyRDZZVWULKPBWOC-UHFFFAOYSA-N
XLogP2.89
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.89
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-yl)-4-propylpiperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine (CID 10641904) is 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine is CCCN1CCN(Cc2ccc(Cl)cc2Cl)C(C2=NCCN2)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine?
The InChIKey is RDZZVWULKPBWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N4/c1-2-7-22-8-9-23(16(12-22)17-20-5-6-21-17)11-13-3-4-14(18)10-15(13)19/h3-4,10,16H,2,5-9,11-12H2,1H3,(H,20,21).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine?
1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-propylpiperazine has a molecular weight of 355.31 g/mol, XLogP of 2.89, 5 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-yl)-4-propylpiperazine is sourced from PubChem (CID 10641904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).