1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine

C15H21ClN4 — CID 10685085

IUPAC1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(Cl)c2)C(C2=NCCN2)C1
InChIInChI=1S/C15H21ClN4/c1-19-7-8-20(10-12-3-2-4-13(16)9-12)14(11-19)15-17-5-6-18-15/h2-4,9,14H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyNESVUGMPMMPPTL-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.46
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine

1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine (PubChem CID 10685085) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
PubChem CID10685085
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(Cl)c2)C(C2=NCCN2)C1
InChIInChI=1S/C15H21ClN4/c1-19-7-8-20(10-12-3-2-4-13(16)9-12)14(11-19)15-17-5-6-18-15/h2-4,9,14H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyNESVUGMPMMPPTL-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 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine (CID 10685085) is 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine is CN1CCN(Cc2cccc(Cl)c2)C(C2=NCCN2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
The InChIKey is NESVUGMPMMPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-19-7-8-20(10-12-3-2-4-13(16)9-12)14(11-19)15-17-5-6-18-15/h2-4,9,14H,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine?
1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-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 1-[(3-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine is sourced from PubChem (CID 10685085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).