5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole

C15H20N2O — CID 121497205

IUPAC5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole
SMILESCCCc1ncc(-c2cccc(C(C)OC)c2)[nH]1
InChIInChI=1S/C15H20N2O/c1-4-6-15-16-10-14(17-15)13-8-5-7-12(9-13)11(2)18-3/h5,7-11H,4,6H2,1-3H3,(H,16,17)
InChIKeyQOYPVSRVIVSVFH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.74
Rot. Bonds5

About 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole

5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole (PubChem CID 121497205) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole
PubChem CID121497205
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole
SMILESCCCc1ncc(-c2cccc(C(C)OC)c2)[nH]1
InChIInChI=1S/C15H20N2O/c1-4-6-15-16-10-14(17-15)13-8-5-7-12(9-13)11(2)18-3/h5,7-11H,4,6H2,1-3H3,(H,16,17)
InChIKeyQOYPVSRVIVSVFH-UHFFFAOYSA-N
XLogP3.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole?
The IUPAC name of 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole (CID 121497205) is 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole.
What is the SMILES notation for 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole?
The canonical SMILES for 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole is CCCc1ncc(-c2cccc(C(C)OC)c2)[nH]1.
What is the InChIKey of 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole?
The InChIKey is QOYPVSRVIVSVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-6-15-16-10-14(17-15)13-8-5-7-12(9-13)11(2)18-3/h5,7-11H,4,6H2,1-3H3,(H,16,17).
What are the key properties of 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole?
5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole is sourced from PubChem (CID 121497205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).