2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine

C16H24N4 — CID 10564128

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(C)CC1C1=NCCN1
InChIInChI=1S/C16H24N4/c1-13-5-3-4-6-14(13)11-20-10-9-19(2)12-15(20)16-17-7-8-18-16/h3-6,15H,7-12H2,1-2H3,(H,17,18)
InChIKeyJYXUQJSZNWIIPP-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.11
Rot. Bonds3

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

2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine (PubChem CID 10564128) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine
PubChem CID10564128
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(C)CC1C1=NCCN1
InChIInChI=1S/C16H24N4/c1-13-5-3-4-6-14(13)11-20-10-9-19(2)12-15(20)16-17-7-8-18-16/h3-6,15H,7-12H2,1-2H3,(H,17,18)
InChIKeyJYXUQJSZNWIIPP-UHFFFAOYSA-N
XLogP1.11
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine (CID 10564128) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine is Cc1ccccc1CN1CCN(C)CC1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine?
The InChIKey is JYXUQJSZNWIIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-5-3-4-6-14(13)11-20-10-9-19(2)12-15(20)16-17-7-8-18-16/h3-6,15H,7-12H2,1-2H3,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine has a molecular weight of 272.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 10564128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).