1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

C21H23FN4O2 — CID 120736848

IUPAC1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1c(C(=O)N2CCNCC2c2cccc(F)c2)cccc1N1CCNC1=O
InChIInChI=1S/C21H23FN4O2/c1-14-17(6-3-7-18(14)26-11-9-24-21(26)28)20(27)25-10-8-23-13-19(25)15-4-2-5-16(22)12-15/h2-7,12,19,23H,8-11,13H2,1H3,(H,24,28)
InChIKeyAQRGHVFWRLACTD-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.45
Rot. Bonds3

About 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 120736848) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID120736848
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1c(C(=O)N2CCNCC2c2cccc(F)c2)cccc1N1CCNC1=O
InChIInChI=1S/C21H23FN4O2/c1-14-17(6-3-7-18(14)26-11-9-24-21(26)28)20(27)25-10-8-23-13-19(25)15-4-2-5-16(22)12-15/h2-7,12,19,23H,8-11,13H2,1H3,(H,24,28)
InChIKeyAQRGHVFWRLACTD-UHFFFAOYSA-N
XLogP2.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120802754
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735677
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
1-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120735787
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 120736848) is 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is Cc1c(C(=O)N2CCNCC2c2cccc(F)c2)cccc1N1CCNC1=O.
What is the InChIKey of 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is AQRGHVFWRLACTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14-17(6-3-7-18(14)26-11-9-24-21(26)28)20(27)25-10-8-23-13-19(25)15-4-2-5-16(22)12-15/h2-7,12,19,23H,8-11,13H2,1H3,(H,24,28).
What are the key properties of 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 382.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 120736848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).