2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone

C12H13N3O — CID 83821528

IUPAC2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
SMILESCc1nccn1-c1ccccc1C(=O)CN
InChIInChI=1S/C12H13N3O/c1-9-14-6-7-15(9)11-5-3-2-4-10(11)12(16)8-13/h2-7H,8,13H2,1H3
InChIKeyDVXJHBRZKZSDQE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone

2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone (PubChem CID 83821528) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
PubChem CID83821528
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
SMILESCc1nccn1-c1ccccc1C(=O)CN
InChIInChI=1S/C12H13N3O/c1-9-14-6-7-15(9)11-5-3-2-4-10(11)12(16)8-13/h2-7H,8,13H2,1H3
InChIKeyDVXJHBRZKZSDQE-UHFFFAOYSA-N
XLogP1.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-1-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone (CID 83821528) is 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone is Cc1nccn1-c1ccccc1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone?
The InChIKey is DVXJHBRZKZSDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-14-6-7-15(9)11-5-3-2-4-10(11)12(16)8-13/h2-7H,8,13H2,1H3.
What are the key properties of 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone?
2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone has a molecular weight of 215.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 83821528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).