(5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione

C15H18FN3O2 — CID 162625288

IUPAC(5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1
InChIInChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1
InChIKeyMTRGOOHUDUKDJK-ZDUSSCGKSA-N
MW291.33 g/mol
LogP2.62
Rot. Bonds3

About (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione

(5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 162625288) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID162625288
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1
InChIInChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1
InChIKeyMTRGOOHUDUKDJK-ZDUSSCGKSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione (CID 162625288) is (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione is O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1.
What is the InChIKey of (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is MTRGOOHUDUKDJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1.
What are the key properties of (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
(5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 291.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclohexylmethyl)-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 162625288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).