1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone

C12H13N3O2 — CID 659744

IUPAC1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone
SMILESCOc1ccccc1-n1cnc(N)c1C(C)=O
InChIInChI=1S/C12H13N3O2/c1-8(16)11-12(13)14-7-15(11)9-5-3-4-6-10(9)17-2/h3-7H,13H2,1-2H3
InChIKeyTULOCRNGTMNOCV-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.67
Rot. Bonds3

About 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone

1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone (PubChem CID 659744) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone
PubChem CID659744
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone
SMILESCOc1ccccc1-n1cnc(N)c1C(C)=O
InChIInChI=1S/C12H13N3O2/c1-8(16)11-12(13)14-7-15(11)9-5-3-4-6-10(9)17-2/h3-7H,13H2,1-2H3
InChIKeyTULOCRNGTMNOCV-UHFFFAOYSA-N
XLogP1.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone?
The IUPAC name of 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone (CID 659744) is 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone?
The canonical SMILES for 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone is COc1ccccc1-n1cnc(N)c1C(C)=O.
What is the InChIKey of 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone?
The InChIKey is TULOCRNGTMNOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(16)11-12(13)14-7-15(11)9-5-3-4-6-10(9)17-2/h3-7H,13H2,1-2H3.
What are the key properties of 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone?
1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone has a molecular weight of 231.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-(2-methoxyphenyl)imidazol-4-yl]ethanone is sourced from PubChem (CID 659744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).