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3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

ChemBase ID: 321694
Molecular Formular: C24H26FN3O4
Molecular Mass: 439.4793432
Monoisotopic Mass: 439.19073455
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2occc2)CC1)Cc1ccc(F)cc1)CC1CC1
Canonical SMILES:
Fc1ccc(cc1)CC1(NC(=O)N(C1=O)CC1CC1)C1CCN(CC1)C(=O)c1ccco1
InChI:
InChI=1S/C24H26FN3O4/c25-19-7-5-16(6-8-19)14-24(22(30)28(23(31)26-24)15-17-3-4-17)18-9-11-27(12-10-18)21(29)20-2-1-13-32-20/h1-2,5-8,13,17-18H,3-4,9-12,14-15H2,(H,26,31)
InChIKey:
MONMXMWXUDEGRM-UHFFFAOYSA-N

Cite this record

CBID:321694 http://www.chembase.cn/molecule-321694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
IUPAC Traditional name
3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
Synonyms
3-(cyclopropylmethyl)-5-(4-fluorobenzyl)-5-[1-(2-furoyl)-4-piperidinyl]-2,4-imidazolidinedione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.493537  H Acceptors
H Donor LogD (pH = 5.5) 2.6265013 
LogD (pH = 7.4) 2.6261597  Log P 2.6265056 
Molar Refractivity 114.7805 cm3 Polarizability 43.550888 Å3
Polar Surface Area 82.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.16  LOG S -5.29 
Polar Surface Area 82.86 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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