2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid

C19H18N2O3 — CID 57076106

IUPAC2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C19H18N2O3/c22-19(23)17-8-4-5-9-18(17)24-11-10-16-13-21(14-20-16)12-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,23)
InChIKeyPUOMATSSUUTWKN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.25
Rot. Bonds7

About 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid

2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid (PubChem CID 57076106) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid
PubChem CID57076106
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C19H18N2O3/c22-19(23)17-8-4-5-9-18(17)24-11-10-16-13-21(14-20-16)12-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,23)
InChIKeyPUOMATSSUUTWKN-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[(2S)-3-(1-benzylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7019739
(1-benzylimidazol-4-yl)methanethiol
CID 144964531
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-(1-benzylimidazol-4-yl)acetaldehyde
CID 83880657
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672
N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 24753176
4-[(1-benzylimidazol-4-yl)methyl]heptane-3,5-dione
CID 67276883
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide;dihydrochloride
CID 119695642
N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid (CID 57076106) is 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCc1cn(Cc2ccccc2)cn1.
What is the InChIKey of 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid?
The InChIKey is PUOMATSSUUTWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(23)17-8-4-5-9-18(17)24-11-10-16-13-21(14-20-16)12-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,23).
What are the key properties of 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid?
2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid is sourced from PubChem (CID 57076106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).