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

C14H16N2O3 — CID 95466646

IUPAC2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid
SMILESCCOc1ccc(Cc2ncc(CC(=O)O)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-19-12-5-3-10(4-6-12)7-13-15-9-11(16-13)8-14(17)18/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyISVHQLZYURQURR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.03
Rot. Bonds6

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

2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid (PubChem CID 95466646) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid
PubChem CID95466646
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid
SMILESCCOc1ccc(Cc2ncc(CC(=O)O)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-19-12-5-3-10(4-6-12)7-13-15-9-11(16-13)8-14(17)18/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyISVHQLZYURQURR-UHFFFAOYSA-N
XLogP2.03
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-aminophenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 19797542
2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 82301547
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
3-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 67566320
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91792347
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289482
2-[2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 53214781

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid (CID 95466646) is 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid is CCOc1ccc(Cc2ncc(CC(=O)O)[nH]2)cc1.
What is the InChIKey of 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
The InChIKey is ISVHQLZYURQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-12-5-3-10(4-6-12)7-13-15-9-11(16-13)8-14(17)18/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 95466646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).