2-(2-ethyl-4-methylimidazol-1-yl)acetic acid

C8H12N2O2 — CID 59571496

IUPAC2-(2-ethyl-4-methylimidazol-1-yl)acetic acid
SMILESCCc1nc(C)cn1CC(=O)O
InChIInChI=1S/C8H12N2O2/c1-3-7-9-6(2)4-10(7)5-8(11)12/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeySGOAZSFZXMJNFA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.84
Rot. Bonds3

About 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid

2-(2-ethyl-4-methylimidazol-1-yl)acetic acid (PubChem CID 59571496) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-methylimidazol-1-yl)acetic acid
PubChem CID59571496
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-ethyl-4-methylimidazol-1-yl)acetic acid
SMILESCCc1nc(C)cn1CC(=O)O
InChIInChI=1S/C8H12N2O2/c1-3-7-9-6(2)4-10(7)5-8(11)12/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeySGOAZSFZXMJNFA-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid (CID 59571496) is 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid is CCc1nc(C)cn1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid?
The InChIKey is SGOAZSFZXMJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7-9-6(2)4-10(7)5-8(11)12/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid?
2-(2-ethyl-4-methylimidazol-1-yl)acetic acid has a molecular weight of 168.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methylimidazol-1-yl)acetic acid is sourced from PubChem (CID 59571496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).