1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol

C14H22N6O4 — CID 6439449

IUPAC1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1ccnc1/N=N/c1nccn1CC(O)COC
InChIInChI=1S/C14H22N6O4/c1-23-9-11(21)7-19-5-3-15-13(19)17-18-14-16-4-6-20(14)8-12(22)10-24-2/h3-6,11-12,21-22H,7-10H2,1-2H3/b18-17+
InChIKeyYRQGKARBOBQDSJ-ISLYRVAYSA-N
MW338.37 g/mol
LogP0.51
Rot. Bonds10

About 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol

1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol (PubChem CID 6439449) has the molecular formula C14H22N6O4 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol
PubChem CID6439449
Molecular FormulaC14H22N6O4
Molecular Weight338.37 g/mol
Exact Mass338.17
IUPAC Name1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1ccnc1/N=N/c1nccn1CC(O)COC
InChIInChI=1S/C14H22N6O4/c1-23-9-11(21)7-19-5-3-15-13(19)17-18-14-16-4-6-20(14)8-12(22)10-24-2/h3-6,11-12,21-22H,7-10H2,1-2H3/b18-17+
InChIKeyYRQGKARBOBQDSJ-ISLYRVAYSA-N
XLogP0.51
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol (CID 6439449) is 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol is COCC(O)Cn1ccnc1/N=N/c1nccn1CC(O)COC.
What is the InChIKey of 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol?
The InChIKey is YRQGKARBOBQDSJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H22N6O4/c1-23-9-11(21)7-19-5-3-15-13(19)17-18-14-16-4-6-20(14)8-12(22)10-24-2/h3-6,11-12,21-22H,7-10H2,1-2H3/b18-17+.
What are the key properties of 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol?
1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol has a molecular weight of 338.37 g/mol, XLogP of 0.51, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-[1-(2-hydroxy-3-methoxypropyl)imidazol-2-yl]diazenyl]imidazol-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 6439449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).