4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine

C15H21ClN4 — CID 10661364

IUPAC4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1
InChIInChI=1S/C15H21ClN4/c1-19-8-9-20(10-12-4-2-3-5-13(12)16)11-14(19)15-17-6-7-18-15/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyBRQONDFEBPINKH-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.46
Rot. Bonds3

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

4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 10661364) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID10661364
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1
InChIInChI=1S/C15H21ClN4/c1-19-8-9-20(10-12-4-2-3-5-13(12)16)11-14(19)15-17-6-7-18-15/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyBRQONDFEBPINKH-UHFFFAOYSA-N
XLogP1.46
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine (CID 10661364) is 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is BRQONDFEBPINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-19-8-9-20(10-12-4-2-3-5-13(12)16)11-14(19)15-17-6-7-18-15/h2-5,14H,6-11H2,1H3,(H,17,18).
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine?
4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 292.81 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 10661364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).