1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole

C15H16N4O — CID 21193484

IUPAC1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
SMILESc1cn(-c2ccc(OCCCc3cnc[nH]3)cc2)cn1
InChIInChI=1S/C15H16N4O/c1(2-13-10-17-11-18-13)9-20-15-5-3-14(4-6-15)19-8-7-16-12-19/h3-8,10-12H,1-2,9H2,(H,17,18)
InChIKeyQWUGGXLSXAEDBP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds6

About 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole

1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole (PubChem CID 21193484) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
PubChem CID21193484
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
SMILESc1cn(-c2ccc(OCCCc3cnc[nH]3)cc2)cn1
InChIInChI=1S/C15H16N4O/c1(2-13-10-17-11-18-13)9-20-15-5-3-14(4-6-15)19-8-7-16-12-19/h3-8,10-12H,1-2,9H2,(H,17,18)
InChIKeyQWUGGXLSXAEDBP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole?
The IUPAC name of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole (CID 21193484) is 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole.
What is the SMILES notation for 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole?
The canonical SMILES for 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole is c1cn(-c2ccc(OCCCc3cnc[nH]3)cc2)cn1.
What is the InChIKey of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole?
The InChIKey is QWUGGXLSXAEDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1(2-13-10-17-11-18-13)9-20-15-5-3-14(4-6-15)19-8-7-16-12-19/h3-8,10-12H,1-2,9H2,(H,17,18).
What are the key properties of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole?
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole has a molecular weight of 268.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole is sourced from PubChem (CID 21193484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).