2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid

C13H14N2O2 — CID 82288733

IUPAC2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCCc1ccc(-c2ncc(CC(=O)O)[nH]2)cc1
InChIInChI=1S/C13H14N2O2/c1-2-9-3-5-10(6-4-9)13-14-8-11(15-13)7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNSIUEXRPZMBFLJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid

2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 82288733) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID82288733
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCCc1ccc(-c2ncc(CC(=O)O)[nH]2)cc1
InChIInChI=1S/C13H14N2O2/c1-2-9-3-5-10(6-4-9)13-14-8-11(15-13)7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNSIUEXRPZMBFLJ-UHFFFAOYSA-N
XLogP2.27
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid (CID 82288733) is 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid is CCc1ccc(-c2ncc(CC(=O)O)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is NSIUEXRPZMBFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-9-3-5-10(6-4-9)13-14-8-11(15-13)7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid?
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82288733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).