2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid

C7H9ClN2O2 — CID 59571573

IUPAC2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid
SMILESCc1nc(Cl)c(C)n1CC(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-4-7(8)9-5(2)10(4)3-6(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyXVCGSLRAKOSQIZ-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.24
Rot. Bonds2

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

2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid (PubChem CID 59571573) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid
PubChem CID59571573
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid
SMILESCc1nc(Cl)c(C)n1CC(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-4-7(8)9-5(2)10(4)3-6(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyXVCGSLRAKOSQIZ-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid (CID 59571573) is 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid is Cc1nc(Cl)c(C)n1CC(=O)O.
What is the InChIKey of 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid?
The InChIKey is XVCGSLRAKOSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-7(8)9-5(2)10(4)3-6(11)12/h3H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid?
2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid has a molecular weight of 188.61 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethylimidazol-1-yl)acetic acid is sourced from PubChem (CID 59571573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).