1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine

C15H22N4 — CID 10563188

IUPAC1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2)C(C2=NCCN2)C1
InChIInChI=1S/C15H22N4/c1-18-9-10-19(11-13-5-3-2-4-6-13)14(12-18)15-16-7-8-17-15/h2-6,14H,7-12H2,1H3,(H,16,17)
InChIKeyGTWKOXWYJJMQTR-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.80
Rot. Bonds3

About 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine

1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine (PubChem CID 10563188) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
PubChem CID10563188
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2)C(C2=NCCN2)C1
InChIInChI=1S/C15H22N4/c1-18-9-10-19(11-13-5-3-2-4-6-13)14(12-18)15-16-7-8-17-15/h2-6,14H,7-12H2,1H3,(H,16,17)
InChIKeyGTWKOXWYJJMQTR-UHFFFAOYSA-N
XLogP0.80
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
The IUPAC name of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine (CID 10563188) is 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine is CN1CCN(Cc2ccccc2)C(C2=NCCN2)C1.
What is the InChIKey of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
The InChIKey is GTWKOXWYJJMQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18-9-10-19(11-13-5-3-2-4-6-13)14(12-18)15-16-7-8-17-15/h2-6,14H,7-12H2,1H3,(H,16,17).
What are the key properties of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine has a molecular weight of 258.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine is sourced from PubChem (CID 10563188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).