(5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C18H16FN3O3 — CID 2695840

IUPAC(5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(N=Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C18H16FN3O3/c1-18(13-7-9-14(25-2)10-8-13)16(23)22(17(24)21-18)20-11-12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyJCDCQNZRBRSIQE-SFHVURJKSA-N
MW341.34 g/mol
LogP2.64
Rot. Bonds4

About (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2695840) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2695840
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name(5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(N=Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C18H16FN3O3/c1-18(13-7-9-14(25-2)10-8-13)16(23)22(17(24)21-18)20-11-12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyJCDCQNZRBRSIQE-SFHVURJKSA-N
XLogP2.64
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 2695840) is (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc([C@]2(C)NC(=O)N(N=Cc3ccccc3F)C2=O)cc1.
What is the InChIKey of (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JCDCQNZRBRSIQE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-18(13-7-9-14(25-2)10-8-13)16(23)22(17(24)21-18)20-11-12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 341.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-fluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2695840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).