(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione

C20H16FN3O2 — CID 94782021

IUPAC(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C20H16FN3O2/c21-16-9-8-14(18-15(16)7-4-10-22-18)12-24-19(25)17(23-20(24)26)11-13-5-2-1-3-6-13/h1-10,17H,11-12H2,(H,23,26)/t17-/m1/s1
InChIKeyNHBQAWXGCVPBPM-QGZVFWFLSA-N
MW349.37 g/mol
LogP3.04
Rot. Bonds4

About (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione

(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione (PubChem CID 94782021) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione
PubChem CID94782021
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C20H16FN3O2/c21-16-9-8-14(18-15(16)7-4-10-22-18)12-24-19(25)17(23-20(24)26)11-13-5-2-1-3-6-13/h1-10,17H,11-12H2,(H,23,26)/t17-/m1/s1
InChIKeyNHBQAWXGCVPBPM-QGZVFWFLSA-N
XLogP3.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770132
(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769922
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403159

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione (CID 94782021) is (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)c2cccnc12.
What is the InChIKey of (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NHBQAWXGCVPBPM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-9-8-14(18-15(16)7-4-10-22-18)12-24-19(25)17(23-20(24)26)11-13-5-2-1-3-6-13/h1-10,17H,11-12H2,(H,23,26)/t17-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 349.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).