1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole

C15H16N4O — CID 56713199

IUPAC1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole
SMILESc1ccc(-c2ncc[nH]2)c(OCCCn2ccnc2)c1
InChIInChI=1S/C15H16N4O/c1-2-5-14(13(4-1)15-17-6-7-18-15)20-11-3-9-19-10-8-16-12-19/h1-2,4-8,10,12H,3,9,11H2,(H,17,18)
InChIKeyIMVHWXCWYJAONX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds6

About 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole

1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole (PubChem CID 56713199) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole
PubChem CID56713199
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole
SMILESc1ccc(-c2ncc[nH]2)c(OCCCn2ccnc2)c1
InChIInChI=1S/C15H16N4O/c1-2-5-14(13(4-1)15-17-6-7-18-15)20-11-3-9-19-10-8-16-12-19/h1-2,4-8,10,12H,3,9,11H2,(H,17,18)
InChIKeyIMVHWXCWYJAONX-UHFFFAOYSA-N
XLogP2.74
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole?
The IUPAC name of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole (CID 56713199) is 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole.
What is the SMILES notation for 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole?
The canonical SMILES for 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole is c1ccc(-c2ncc[nH]2)c(OCCCn2ccnc2)c1.
What is the InChIKey of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole?
The InChIKey is IMVHWXCWYJAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-5-14(13(4-1)15-17-6-7-18-15)20-11-3-9-19-10-8-16-12-19/h1-2,4-8,10,12H,3,9,11H2,(H,17,18).
What are the key properties of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole?
1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole has a molecular weight of 268.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]imidazole is sourced from PubChem (CID 56713199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).