(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione

C17H21N5O3 — CID 164635599

IUPAC(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](Cc2ncnn2Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C17H21N5O3/c1-3-8-21-16(23)14(20-17(21)24)9-15-18-11-19-22(15)10-12-4-6-13(25-2)7-5-12/h4-7,11,14H,3,8-10H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyZZLMHIVVICSDPO-AWEZNQCLSA-N
MW343.39 g/mol
LogP1.21
Rot. Bonds7

About (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione

(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione (PubChem CID 164635599) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione
PubChem CID164635599
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](Cc2ncnn2Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C17H21N5O3/c1-3-8-21-16(23)14(20-17(21)24)9-15-18-11-19-22(15)10-12-4-6-13(25-2)7-5-12/h4-7,11,14H,3,8-10H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyZZLMHIVVICSDPO-AWEZNQCLSA-N
XLogP1.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.21
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-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione (CID 164635599) is (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@@H](Cc2ncnn2Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is ZZLMHIVVICSDPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-8-21-16(23)14(20-17(21)24)9-15-18-11-19-22(15)10-12-4-6-13(25-2)7-5-12/h4-7,11,14H,3,8-10H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione?
(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 164635599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).