(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one

C20H28N6O2 — CID 10475120

IUPAC(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one
SMILESO=C1NC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCCCc1nn[nH]n1
InChIInChI=1S/C20H28N6O2/c27-18(14-16-8-4-3-5-9-16)12-11-17-15-21-20(28)26(17)13-7-2-1-6-10-19-22-24-25-23-19/h3-5,8-9,11-12,17-18,27H,1-2,6-7,10,13-15H2,(H,21,28)(H,22,23,24,25)/b12-11+/t17-,18?/m0/s1
InChIKeyYISYDNODXRGUOZ-ZOVTXPBASA-N
MW384.48 g/mol
LogP1.86
Rot. Bonds11

About (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one

(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one (PubChem CID 10475120) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one
PubChem CID10475120
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one
SMILESO=C1NC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCCCc1nn[nH]n1
InChIInChI=1S/C20H28N6O2/c27-18(14-16-8-4-3-5-9-16)12-11-17-15-21-20(28)26(17)13-7-2-1-6-10-19-22-24-25-23-19/h3-5,8-9,11-12,17-18,27H,1-2,6-7,10,13-15H2,(H,21,28)(H,22,23,24,25)/b12-11+/t17-,18?/m0/s1
InChIKeyYISYDNODXRGUOZ-ZOVTXPBASA-N
XLogP1.86
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(Z,3R)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one
CID 122173128
5-(3-hydroxy-4-phenylbut-1-enyl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one
CID 53394003
(6R)-6-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]piperidin-2-one
CID 11429414
4-[(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]butylsulfanylmethylphosphonic acid
CID 10024792
(7R)-7-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hex-2-ynyl]azepan-2-one
CID 58828575
5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one
CID 70496016
(6R)-6-[(E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]piperidin-2-one
CID 11464654
6-[(5S)-3-benzyl-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid
CID 10074138
ethyl 7-[(2R)-2-[(3R)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 141126476
5-[3-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]propyl]-1,3-thiazole-2-carboxylic acid
CID 67318788
propan-2-yl 7-[2-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]heptanoate
CID 69020912
propan-2-yl 7-[(2R)-2-[(3S)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]heptanoate
CID 123862098

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one?
The IUPAC name of (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one (CID 10475120) is (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one is O=C1NC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCCCc1nn[nH]n1.
What is the InChIKey of (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one?
The InChIKey is YISYDNODXRGUOZ-ZOVTXPBASA-N. The full InChI is InChI=1S/C20H28N6O2/c27-18(14-16-8-4-3-5-9-16)12-11-17-15-21-20(28)26(17)13-7-2-1-6-10-19-22-24-25-23-19/h3-5,8-9,11-12,17-18,27H,1-2,6-7,10,13-15H2,(H,21,28)(H,22,23,24,25)/b12-11+/t17-,18?/m0/s1.
What are the key properties of (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one?
(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 1.86, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one is sourced from PubChem (CID 10475120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).