(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione

C16H23N3O2 — CID 100667547

IUPAC(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(Cc2cccc(C(C)C)n2)C1=O
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14-15(20)19(16(21)18-14)9-12-6-5-7-13(17-12)11(3)4/h5-7,10-11,14H,8-9H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyTYVLKPIPUBQPPH-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds5

About (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione

(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 100667547) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID100667547
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(Cc2cccc(C(C)C)n2)C1=O
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14-15(20)19(16(21)18-14)9-12-6-5-7-13(17-12)11(3)4/h5-7,10-11,14H,8-9H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyTYVLKPIPUBQPPH-AWEZNQCLSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.67
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-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione (CID 100667547) is (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(Cc2cccc(C(C)C)n2)C1=O.
What is the InChIKey of (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is TYVLKPIPUBQPPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)8-14-15(20)19(16(21)18-14)9-12-6-5-7-13(17-12)11(3)4/h5-7,10-11,14H,8-9H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 289.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 100667547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).