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

C20H25N5O3 — CID 129326025

IUPAC(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione
SMILESCOCCn1cc(C[C@@H]2NC(=O)N(C[C@H]3CCc4ccccc4C3)C2=O)nn1
InChIInChI=1S/C20H25N5O3/c1-28-9-8-24-13-17(22-23-24)11-18-19(26)25(20(27)21-18)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-5,13-14,18H,6-12H2,1H3,(H,21,27)/t14-,18-/m0/s1
InChIKeyGAGAOJSHBGLULF-KSSFIOAISA-N
MW383.45 g/mol
LogP1.19
Rot. Bonds7

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

(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 129326025) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID129326025
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione
SMILESCOCCn1cc(C[C@@H]2NC(=O)N(C[C@H]3CCc4ccccc4C3)C2=O)nn1
InChIInChI=1S/C20H25N5O3/c1-28-9-8-24-13-17(22-23-24)11-18-19(26)25(20(27)21-18)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-5,13-14,18H,6-12H2,1H3,(H,21,27)/t14-,18-/m0/s1
InChIKeyGAGAOJSHBGLULF-KSSFIOAISA-N
XLogP1.19
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione (CID 129326025) is (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione is COCCn1cc(C[C@@H]2NC(=O)N(C[C@H]3CCc4ccccc4C3)C2=O)nn1.
What is the InChIKey of (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is GAGAOJSHBGLULF-KSSFIOAISA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-9-8-24-13-17(22-23-24)11-18-19(26)25(20(27)21-18)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-5,13-14,18H,6-12H2,1H3,(H,21,27)/t14-,18-/m0/s1.
What are the key properties of (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129326025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).