1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine

C17H23FN4 — CID 2812868

IUPAC1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCCc1nc(CN2CCN(c3ccc(F)cc3)CC2)c(C)[nH]1
InChIInChI=1S/C17H23FN4/c1-3-17-19-13(2)16(20-17)12-21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7H,3,8-12H2,1-2H3,(H,19,20)
InChIKeyBRAKBERKIDJPOM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.74
Rot. Bonds4

About 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine

1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 2812868) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID2812868
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCCc1nc(CN2CCN(c3ccc(F)cc3)CC2)c(C)[nH]1
InChIInChI=1S/C17H23FN4/c1-3-17-19-13(2)16(20-17)12-21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7H,3,8-12H2,1-2H3,(H,19,20)
InChIKeyBRAKBERKIDJPOM-UHFFFAOYSA-N
XLogP2.74
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine (CID 2812868) is 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine is CCc1nc(CN2CCN(c3ccc(F)cc3)CC2)c(C)[nH]1.
What is the InChIKey of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is BRAKBERKIDJPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-3-17-19-13(2)16(20-17)12-21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7H,3,8-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 302.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 2812868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).