2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone

C7H11N3O — CID 84649782

IUPAC2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone
SMILESCc1c(C(=O)CN)ncn1C
InChIInChI=1S/C7H11N3O/c1-5-7(6(11)3-8)9-4-10(5)2/h4H,3,8H2,1-2H3
InChIKeyJZTBHBWDEWQPTB-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.13
Rot. Bonds2

About 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone

2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone (PubChem CID 84649782) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone
PubChem CID84649782
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone
SMILESCc1c(C(=O)CN)ncn1C
InChIInChI=1S/C7H11N3O/c1-5-7(6(11)3-8)9-4-10(5)2/h4H,3,8H2,1-2H3
InChIKeyJZTBHBWDEWQPTB-UHFFFAOYSA-N
XLogP-0.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone (CID 84649782) is 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone is Cc1c(C(=O)CN)ncn1C.
What is the InChIKey of 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone?
The InChIKey is JZTBHBWDEWQPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-7(6(11)3-8)9-4-10(5)2/h4H,3,8H2,1-2H3.
What are the key properties of 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone?
2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone has a molecular weight of 153.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,5-dimethylimidazol-4-yl)ethanone is sourced from PubChem (CID 84649782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).