2-(4,5-dichloroimidazol-1-yl)acetic acid

C5H4Cl2N2O2 — CID 606695

IUPAC2-(4,5-dichloroimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2N2O2/c6-4-5(7)9(2-8-4)1-3(10)11/h2H,1H2,(H,10,11)
InChIKeyLAKBJWRGGUVXKN-UHFFFAOYSA-N
MW195.00 g/mol
LogP1.27
Rot. Bonds2

About 2-(4,5-dichloroimidazol-1-yl)acetic acid

2-(4,5-dichloroimidazol-1-yl)acetic acid (PubChem CID 606695) has the molecular formula C5H4Cl2N2O2 and a molecular weight of 195.00 g/mol. Its IUPAC name is 2-(4,5-dichloroimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dichloroimidazol-1-yl)acetic acid
PubChem CID606695
Molecular FormulaC5H4Cl2N2O2
Molecular Weight195.00 g/mol
Exact Mass193.96
IUPAC Name2-(4,5-dichloroimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2N2O2/c6-4-5(7)9(2-8-4)1-3(10)11/h2H,1H2,(H,10,11)
InChIKeyLAKBJWRGGUVXKN-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloroimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4,5-dichloroimidazol-1-yl)acetic acid (CID 606695) is 2-(4,5-dichloroimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dichloroimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4,5-dichloroimidazol-1-yl)acetic acid is O=C(O)Cn1cnc(Cl)c1Cl.
What is the InChIKey of 2-(4,5-dichloroimidazol-1-yl)acetic acid?
The InChIKey is LAKBJWRGGUVXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O2/c6-4-5(7)9(2-8-4)1-3(10)11/h2H,1H2,(H,10,11).
What are the key properties of 2-(4,5-dichloroimidazol-1-yl)acetic acid?
2-(4,5-dichloroimidazol-1-yl)acetic acid has a molecular weight of 195.00 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloroimidazol-1-yl)acetic acid is sourced from PubChem (CID 606695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).