2-(2-methylimidazol-1-yl)acetic acid;zinc

C6H8N2O2Zn — CID 175370537

IUPAC2-(2-methylimidazol-1-yl)acetic acid;zinc
SMILESCc1nccn1CC(=O)O.[Zn]
InChIInChI=1S/C6H8N2O2.Zn/c1-5-7-2-3-8(5)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);
InChIKeyJSVFWFVYZLDDMV-UHFFFAOYSA-N
MW205.53 g/mol
LogP0.27
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)acetic acid;zinc

2-(2-methylimidazol-1-yl)acetic acid;zinc (PubChem CID 175370537) has the molecular formula C6H8N2O2Zn and a molecular weight of 205.53 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)acetic acid;zinc.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)acetic acid;zinc
PubChem CID175370537
Molecular FormulaC6H8N2O2Zn
Molecular Weight205.53 g/mol
Exact Mass203.99
IUPAC Name2-(2-methylimidazol-1-yl)acetic acid;zinc
SMILESCc1nccn1CC(=O)O.[Zn]
InChIInChI=1S/C6H8N2O2.Zn/c1-5-7-2-3-8(5)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);
InChIKeyJSVFWFVYZLDDMV-UHFFFAOYSA-N
XLogP0.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.53
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
4-methyl-1-(2-methylimidazol-1-yl)pent-3-en-2-one
CID 131186404
3-methyl-4-(2-methylimidazol-1-yl)but-2-enoic acid
CID 77005713
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-(2-methylimidazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797913
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
CID 44626128
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)acetic acid;zinc?
The IUPAC name of 2-(2-methylimidazol-1-yl)acetic acid;zinc (CID 175370537) is 2-(2-methylimidazol-1-yl)acetic acid;zinc.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)acetic acid;zinc?
The canonical SMILES for 2-(2-methylimidazol-1-yl)acetic acid;zinc is Cc1nccn1CC(=O)O.[Zn].
What is the InChIKey of 2-(2-methylimidazol-1-yl)acetic acid;zinc?
The InChIKey is JSVFWFVYZLDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.Zn/c1-5-7-2-3-8(5)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);.
What are the key properties of 2-(2-methylimidazol-1-yl)acetic acid;zinc?
2-(2-methylimidazol-1-yl)acetic acid;zinc has a molecular weight of 205.53 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)acetic acid;zinc is sourced from PubChem (CID 175370537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).