2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid

C12H13N3O2 — CID 45157060

IUPAC2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid
SMILESCc1nc(-c2ccccn2)n(CC(=O)O)c1C
InChIInChI=1S/C12H13N3O2/c1-8-9(2)15(7-11(16)17)12(14-8)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyHMWZHWCVCVQQTI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.65
Rot. Bonds3

About 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid

2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid (PubChem CID 45157060) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid
PubChem CID45157060
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid
SMILESCc1nc(-c2ccccn2)n(CC(=O)O)c1C
InChIInChI=1S/C12H13N3O2/c1-8-9(2)15(7-11(16)17)12(14-8)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyHMWZHWCVCVQQTI-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-aminophenyl)-4,5-dimethylimidazol-1-yl]acetic acid
CID 45156617
2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28899161
3-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid
CID 82145355
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
CID 83821721
2-[2-(3-azidophenyl)-4,5-dimethylimidazol-1-yl]acetic acid
CID 169326508
ethyl 2-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetate
CID 13380693
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
2-phenylpyridine;propan-2-one
CID 174845023
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(1-methylimidazol-4-yl)benzimidazol-1-yl]acetic acid
CID 114022725
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid (CID 45157060) is 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid is Cc1nc(-c2ccccn2)n(CC(=O)O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid?
The InChIKey is HMWZHWCVCVQQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-9(2)15(7-11(16)17)12(14-8)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid?
2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid is sourced from PubChem (CID 45157060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).