3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one

C18H23FN4O2 — CID 84578028

IUPAC3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCC(=O)N2CCN(c3ccccc3F)CC2)c1C
InChIInChI=1S/C18H23FN4O2/c1-13-14(2)23(18(25)20-13)8-7-17(24)22-11-9-21(10-12-22)16-6-4-3-5-15(16)19/h3-6H,7-12H2,1-2H3,(H,20,25)
InChIKeyIRAZECFSGWQTQO-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.67
Rot. Bonds4

About 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one

3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 84578028) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
PubChem CID84578028
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCC(=O)N2CCN(c3ccccc3F)CC2)c1C
InChIInChI=1S/C18H23FN4O2/c1-13-14(2)23(18(25)20-13)8-7-17(24)22-11-9-21(10-12-22)16-6-4-3-5-15(16)19/h3-6H,7-12H2,1-2H3,(H,20,25)
InChIKeyIRAZECFSGWQTQO-UHFFFAOYSA-N
XLogP1.67
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
CID 110854608
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 38765548
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
CID 22330323
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600733

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one (CID 84578028) is 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(CCC(=O)N2CCN(c3ccccc3F)CC2)c1C.
What is the InChIKey of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is IRAZECFSGWQTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-14(2)23(18(25)20-13)8-7-17(24)22-11-9-21(10-12-22)16-6-4-3-5-15(16)19/h3-6H,7-12H2,1-2H3,(H,20,25).
What are the key properties of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 346.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 84578028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).