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

C21H23ClN4O2 — CID 120802754

IUPAC1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1c(C(=O)N2CCNCC2c2cccc(Cl)c2)cccc1N1CCNC1=O
InChIInChI=1S/C21H23ClN4O2/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)
InChIKeyYIUMVGFDAAQMNO-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.96
Rot. Bonds3

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

1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 120802754) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID120802754
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1c(C(=O)N2CCNCC2c2cccc(Cl)c2)cccc1N1CCNC1=O
InChIInChI=1S/C21H23ClN4O2/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)
InChIKeyYIUMVGFDAAQMNO-UHFFFAOYSA-N
XLogP2.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120736848
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 120802342
[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120801969
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 120802754) is 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is Cc1c(C(=O)N2CCNCC2c2cccc(Cl)c2)cccc1N1CCNC1=O.
What is the InChIKey of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is YIUMVGFDAAQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/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-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 398.89 g/mol, XLogP of 2.96, 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-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 120802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).