2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid

C14H16N2O2 — CID 82513512

IUPAC2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid
SMILESCc1nc(C)n(C(C(=O)O)c2ccccc2)c1C
InChIInChI=1S/C14H16N2O2/c1-9-10(2)16(11(3)15-9)13(14(17)18)12-7-5-4-6-8-12/h4-8,13H,1-3H3,(H,17,18)
InChIKeyXBYXOEWERGIHKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds3

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

2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid (PubChem CID 82513512) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid
PubChem CID82513512
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid
SMILESCc1nc(C)n(C(C(=O)O)c2ccccc2)c1C
InChIInChI=1S/C14H16N2O2/c1-9-10(2)16(11(3)15-9)13(14(17)18)12-7-5-4-6-8-12/h4-8,13H,1-3H3,(H,17,18)
InChIKeyXBYXOEWERGIHKK-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid
CID 82514415
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-phenylacetic acid
CID 58778052
(2S)-2-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)-2-phenylacetic acid
CID 91691043
2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
CID 82359608
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate
CID 106676934
1-[carboxy(phenyl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 82204259
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
CID 67904811
6-benzhydryl-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 2979096
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
3-[carboxy(phenyl)methyl]triazole-4-carboxylic acid
CID 82212019

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid?
The IUPAC name of 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid (CID 82513512) is 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid is Cc1nc(C)n(C(C(=O)O)c2ccccc2)c1C.
What is the InChIKey of 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid?
The InChIKey is XBYXOEWERGIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-10(2)16(11(3)15-9)13(14(17)18)12-7-5-4-6-8-12/h4-8,13H,1-3H3,(H,17,18).
What are the key properties of 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid?
2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,4,5-trimethylimidazol-1-yl)acetic acid is sourced from PubChem (CID 82513512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).