1-(4-butan-2-yloxyphenyl)imidazole

C13H16N2O — CID 91295981

IUPAC1-(4-butan-2-yloxyphenyl)imidazole
SMILESCCC(C)Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2O/c1-3-11(2)16-13-6-4-12(5-7-13)15-9-8-14-10-15/h4-11H,3H2,1-2H3
InChIKeySVAFIKPIWROFAU-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-butan-2-yloxyphenyl)imidazole

1-(4-butan-2-yloxyphenyl)imidazole (PubChem CID 91295981) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4-butan-2-yloxyphenyl)imidazole.

Molecular Properties

Compound Name1-(4-butan-2-yloxyphenyl)imidazole
PubChem CID91295981
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(4-butan-2-yloxyphenyl)imidazole
SMILESCCC(C)Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2O/c1-3-11(2)16-13-6-4-12(5-7-13)15-9-8-14-10-15/h4-11H,3H2,1-2H3
InChIKeySVAFIKPIWROFAU-UHFFFAOYSA-N
XLogP3.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-imidazol-1-ylphenyl) (2S)-2-methoxypropane-1-sulfonate
CID 99837565
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
(4-imidazol-1-ylphenyl) acetate
CID 594823
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
1-[4-[(1S)-1-azidoethyl]phenyl]imidazole
CID 104853460
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
1-(4-butylphenyl)imidazole
CID 174821695
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxyphenyl)imidazole?
The IUPAC name of 1-(4-butan-2-yloxyphenyl)imidazole (CID 91295981) is 1-(4-butan-2-yloxyphenyl)imidazole.
What is the SMILES notation for 1-(4-butan-2-yloxyphenyl)imidazole?
The canonical SMILES for 1-(4-butan-2-yloxyphenyl)imidazole is CCC(C)Oc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-butan-2-yloxyphenyl)imidazole?
The InChIKey is SVAFIKPIWROFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-11(2)16-13-6-4-12(5-7-13)15-9-8-14-10-15/h4-11H,3H2,1-2H3.
What are the key properties of 1-(4-butan-2-yloxyphenyl)imidazole?
1-(4-butan-2-yloxyphenyl)imidazole has a molecular weight of 216.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxyphenyl)imidazole is sourced from PubChem (CID 91295981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).