(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione

C18H24N6O3 — CID 129327963

IUPAC(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOCCn1cc(C[C@@H]2NC(=O)N(Cc3cccc(C(C)C)n3)C2=O)nn1
InChIInChI=1S/C18H24N6O3/c1-12(2)15-6-4-5-13(19-15)11-24-17(25)16(20-18(24)26)9-14-10-23(22-21-14)7-8-27-3/h4-6,10,12,16H,7-9,11H2,1-3H3,(H,20,26)/t16-/m0/s1
InChIKeyXMPFZNJPUKWDCI-INIZCTEOSA-N
MW372.43 g/mol
LogP1.11
Rot. Bonds8

About (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione

(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 129327963) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID129327963
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOCCn1cc(C[C@@H]2NC(=O)N(Cc3cccc(C(C)C)n3)C2=O)nn1
InChIInChI=1S/C18H24N6O3/c1-12(2)15-6-4-5-13(19-15)11-24-17(25)16(20-18(24)26)9-14-10-23(22-21-14)7-8-27-3/h4-6,10,12,16H,7-9,11H2,1-3H3,(H,20,26)/t16-/m0/s1
InChIKeyXMPFZNJPUKWDCI-INIZCTEOSA-N
XLogP1.11
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione (CID 129327963) is (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione is COCCn1cc(C[C@@H]2NC(=O)N(Cc3cccc(C(C)C)n3)C2=O)nn1.
What is the InChIKey of (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XMPFZNJPUKWDCI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-12(2)15-6-4-5-13(19-15)11-24-17(25)16(20-18(24)26)9-14-10-23(22-21-14)7-8-27-3/h4-6,10,12,16H,7-9,11H2,1-3H3,(H,20,26)/t16-/m0/s1.
What are the key properties of (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129327963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).