2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C19H27ClFN5O3 — CID 119394449

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCN2CCNCC2)C1=O.Cl
InChIInChI=1S/C19H26FN5O3.ClH/c1-19(14-3-5-15(20)6-4-14)17(27)25(18(28)23-19)13-16(26)22-7-2-10-24-11-8-21-9-12-24;/h3-6,21H,2,7-13H2,1H3,(H,22,26)(H,23,28);1H
InChIKeyGBJCSCSOJPJYOD-UHFFFAOYSA-N
MW427.91 g/mol
LogP0.43
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119394449) has the molecular formula C19H27ClFN5O3 and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119394449
Molecular FormulaC19H27ClFN5O3
Molecular Weight427.91 g/mol
Exact Mass427.18
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCN2CCNCC2)C1=O.Cl
InChIInChI=1S/C19H26FN5O3.ClH/c1-19(14-3-5-15(20)6-4-14)17(27)25(18(28)23-19)13-16(26)22-7-2-10-24-11-8-21-9-12-24;/h3-6,21H,2,7-13H2,1H3,(H,22,26)(H,23,28);1H
InChIKeyGBJCSCSOJPJYOD-UHFFFAOYSA-N
XLogP0.43
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360
N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119549660
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43044795
N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide
CID 55863349
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2113805
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
CID 119394382
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119394449) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCN2CCNCC2)C1=O.Cl.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is GBJCSCSOJPJYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3.ClH/c1-19(14-3-5-15(20)6-4-14)17(27)25(18(28)23-19)13-16(26)22-7-2-10-24-11-8-21-9-12-24;/h3-6,21H,2,7-13H2,1H3,(H,22,26)(H,23,28);1H.
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 427.91 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119394449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).