5-[3-(3-propylphenoxy)propyl]-1H-imidazole

C15H20N2O — CID 21193588

IUPAC5-[3-(3-propylphenoxy)propyl]-1H-imidazole
SMILESCCCc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C15H20N2O/c1-2-5-13-6-3-8-15(10-13)18-9-4-7-14-11-16-12-17-14/h3,6,8,10-12H,2,4-5,7,9H2,1H3,(H,16,17)
InChIKeyNRZFWGMWQFUQJR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.37
Rot. Bonds7

About 5-[3-(3-propylphenoxy)propyl]-1H-imidazole

5-[3-(3-propylphenoxy)propyl]-1H-imidazole (PubChem CID 21193588) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[3-(3-propylphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-propylphenoxy)propyl]-1H-imidazole
PubChem CID21193588
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[3-(3-propylphenoxy)propyl]-1H-imidazole
SMILESCCCc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C15H20N2O/c1-2-5-13-6-3-8-15(10-13)18-9-4-7-14-11-16-12-17-14/h3,6,8,10-12H,2,4-5,7,9H2,1H3,(H,16,17)
InChIKeyNRZFWGMWQFUQJR-UHFFFAOYSA-N
XLogP3.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-[3-(3-propylphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-propylphenoxy)propyl]-1H-imidazole (CID 21193588) is 5-[3-(3-propylphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-propylphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-propylphenoxy)propyl]-1H-imidazole is CCCc1cccc(OCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-(3-propylphenoxy)propyl]-1H-imidazole?
The InChIKey is NRZFWGMWQFUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-5-13-6-3-8-15(10-13)18-9-4-7-14-11-16-12-17-14/h3,6,8,10-12H,2,4-5,7,9H2,1H3,(H,16,17).
What are the key properties of 5-[3-(3-propylphenoxy)propyl]-1H-imidazole?
5-[3-(3-propylphenoxy)propyl]-1H-imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-propylphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 21193588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).