(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C14H17FN2O2 — CID 2604891

IUPAC(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9(2)7-12-13(18)17(14(19)16-12)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyQNTHQSQRZWNNOF-LBPRGKRZSA-N
MW264.30 g/mol
LogP2.29
Rot. Bonds4

About (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 2604891) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID2604891
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9(2)7-12-13(18)17(14(19)16-12)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyQNTHQSQRZWNNOF-LBPRGKRZSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604902
(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 100667547
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403159
(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 2704119
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 115984519
3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
CID 142133732
4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 40988261
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 52544059
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 17409217

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 2604891) is (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(Cc2ccccc2F)C1=O.
What is the InChIKey of (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is QNTHQSQRZWNNOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(2)7-12-13(18)17(14(19)16-12)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 264.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2604891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).