2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid

C7H12N2O2 — CID 141071072

IUPAC2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid
SMILESCN1C=CN(C)C1CC(=O)O
InChIInChI=1S/C7H12N2O2/c1-8-3-4-9(2)6(8)5-7(10)11/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKeyDDTPFCTVYLYOME-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.14
Rot. Bonds2

About 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid

2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid (PubChem CID 141071072) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid
PubChem CID141071072
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid
SMILESCN1C=CN(C)C1CC(=O)O
InChIInChI=1S/C7H12N2O2/c1-8-3-4-9(2)6(8)5-7(10)11/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKeyDDTPFCTVYLYOME-UHFFFAOYSA-N
XLogP0.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid (CID 141071072) is 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid is CN1C=CN(C)C1CC(=O)O.
What is the InChIKey of 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid?
The InChIKey is DDTPFCTVYLYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-3-4-9(2)6(8)5-7(10)11/h3-4,6H,5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid?
2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid has a molecular weight of 156.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid is sourced from PubChem (CID 141071072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).