2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid

C19H18N2O4 — CID 70737056

IUPAC2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cnc(-c2ccccc2)c1-c1ccccc1OCCO
InChIInChI=1S/C19H18N2O4/c22-10-11-25-16-9-5-4-8-15(16)19-18(14-6-2-1-3-7-14)20-13-21(19)12-17(23)24/h1-9,13,22H,10-12H2,(H,23,24)
InChIKeySHIRHMBSROTGOA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.67
Rot. Bonds7

About 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid

2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid (PubChem CID 70737056) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
PubChem CID70737056
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cnc(-c2ccccc2)c1-c1ccccc1OCCO
InChIInChI=1S/C19H18N2O4/c22-10-11-25-16-9-5-4-8-15(16)19-18(14-6-2-1-3-7-14)20-13-21(19)12-17(23)24/h1-9,13,22H,10-12H2,(H,23,24)
InChIKeySHIRHMBSROTGOA-UHFFFAOYSA-N
XLogP2.67
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
methyl 4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]butanoate
CID 50953356
2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 167783840
2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
CID 21398049
(1R)-2-[5-(2-ethoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 95127760
2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50960351
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide
CID 50972954
(2S)-2-[5-[2-(difluoromethoxy)phenyl]-4-phenylimidazol-1-yl]-N-methylbutanamide
CID 95121936
2-(2-pyridin-2-ylphenoxy)ethanol
CID 170698166
2-(2-pyrimidin-5-ylphenoxy)ethanol
CID 10560658
5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
CID 50980699

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid (CID 70737056) is 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid is O=C(O)Cn1cnc(-c2ccccc2)c1-c1ccccc1OCCO.
What is the InChIKey of 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid?
The InChIKey is SHIRHMBSROTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-10-11-25-16-9-5-4-8-15(16)19-18(14-6-2-1-3-7-14)20-13-21(19)12-17(23)24/h1-9,13,22H,10-12H2,(H,23,24).
What are the key properties of 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid?
2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-hydroxyethoxy)phenyl]-4-phenylimidazol-1-yl]acetic acid is sourced from PubChem (CID 70737056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).