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

C16H24N4O — CID 10565313

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1cccc(CN2CCN(C)CC2C2=NCCN2)c1
InChIInChI=1S/C16H24N4O/c1-19-8-9-20(15(12-19)16-17-6-7-18-16)11-13-4-3-5-14(10-13)21-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,17,18)
InChIKeyVLKJGNYKJJYTLQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.81
Rot. Bonds4

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

2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 10565313) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine
PubChem CID10565313
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1cccc(CN2CCN(C)CC2C2=NCCN2)c1
InChIInChI=1S/C16H24N4O/c1-19-8-9-20(15(12-19)16-17-6-7-18-16)11-13-4-3-5-14(10-13)21-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,17,18)
InChIKeyVLKJGNYKJJYTLQ-UHFFFAOYSA-N
XLogP0.81
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine (CID 10565313) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine is COc1cccc(CN2CCN(C)CC2C2=NCCN2)c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is VLKJGNYKJJYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-8-9-20(15(12-19)16-17-6-7-18-16)11-13-4-3-5-14(10-13)21-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine has a molecular weight of 288.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 10565313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).