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

C15H21FN4 — CID 10564413

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2F)C(C2=NCCN2)C1
InChIInChI=1S/C15H21FN4/c1-19-8-9-20(10-12-4-2-3-5-13(12)16)14(11-19)15-17-6-7-18-15/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyRTTNMSXRCIBHHY-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.94
Rot. Bonds3

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

2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine (PubChem CID 10564413) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine
PubChem CID10564413
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2F)C(C2=NCCN2)C1
InChIInChI=1S/C15H21FN4/c1-19-8-9-20(10-12-4-2-3-5-13(12)16)14(11-19)15-17-6-7-18-15/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyRTTNMSXRCIBHHY-UHFFFAOYSA-N
XLogP0.94
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.94
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)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine (CID 10564413) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccccc2F)C(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
The InChIKey is RTTNMSXRCIBHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-19-8-9-20(10-12-4-2-3-5-13(12)16)14(11-19)15-17-6-7-18-15/h2-5,14H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine has a molecular weight of 276.36 g/mol, XLogP of 0.94, 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)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 10564413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).