1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole

C13H16N2O2 — CID 54769240

IUPAC1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
SMILESCOc1cc(OC)cc(C(C)n2ccnc2)c1
InChIInChI=1S/C13H16N2O2/c1-10(15-5-4-14-9-15)11-6-12(16-2)8-13(7-11)17-3/h4-10H,1-3H3
InChIKeyBNIGUTROHTZHHA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.51
Rot. Bonds4

About 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole

1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole (PubChem CID 54769240) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
PubChem CID54769240
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
SMILESCOc1cc(OC)cc(C(C)n2ccnc2)c1
InChIInChI=1S/C13H16N2O2/c1-10(15-5-4-14-9-15)11-6-12(16-2)8-13(7-11)17-3/h4-10H,1-3H3
InChIKeyBNIGUTROHTZHHA-UHFFFAOYSA-N
XLogP2.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole (CID 54769240) is 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole is COc1cc(OC)cc(C(C)n2ccnc2)c1.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole?
The InChIKey is BNIGUTROHTZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(15-5-4-14-9-15)11-6-12(16-2)8-13(7-11)17-3/h4-10H,1-3H3.
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole?
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole has a molecular weight of 232.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole is sourced from PubChem (CID 54769240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).