5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole

C15H20N2O — CID 11368548

IUPAC5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole
SMILESCC(C)c1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C15H20N2O/c1-12(2)13-5-3-7-15(9-13)18-8-4-6-14-10-16-11-17-14/h3,5,7,9-12H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyBVWCYMBNZQPWDI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.54
Rot. Bonds6

About 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole

5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole (PubChem CID 11368548) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole
PubChem CID11368548
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole
SMILESCC(C)c1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C15H20N2O/c1-12(2)13-5-3-7-15(9-13)18-8-4-6-14-10-16-11-17-14/h3,5,7,9-12H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyBVWCYMBNZQPWDI-UHFFFAOYSA-N
XLogP3.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.54
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-propan-2-ylphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole (CID 11368548) is 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole is CC(C)c1cccc(OCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole?
The InChIKey is BVWCYMBNZQPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)13-5-3-7-15(9-13)18-8-4-6-14-10-16-11-17-14/h3,5,7,9-12H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole?
5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-propan-2-ylphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 11368548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).