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

C16H21N3O2 — CID 177375223

IUPAC(5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione
SMILESCc1ccncc1N1C(=O)N[C@@H](CC2CCCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-11-7-8-17-10-14(11)19-15(20)13(18-16(19)21)9-12-5-3-2-4-6-12/h7-8,10,12-13H,2-6,9H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyBLHVXYJNCGYOAT-ZDUSSCGKSA-N
MW287.36 g/mol
LogP2.79
Rot. Bonds3

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

(5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 177375223) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID177375223
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione
SMILESCc1ccncc1N1C(=O)N[C@@H](CC2CCCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-11-7-8-17-10-14(11)19-15(20)13(18-16(19)21)9-12-5-3-2-4-6-12/h7-8,10,12-13H,2-6,9H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyBLHVXYJNCGYOAT-ZDUSSCGKSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.79
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-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione (CID 177375223) is (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione is Cc1ccncc1N1C(=O)N[C@@H](CC2CCCCC2)C1=O.
What is the InChIKey of (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is BLHVXYJNCGYOAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-8-17-10-14(11)19-15(20)13(18-16(19)21)9-12-5-3-2-4-6-12/h7-8,10,12-13H,2-6,9H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione?
(5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 2.79, 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-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 177375223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).