4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid

C25H22N2O4 — CID 69142534

IUPAC4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCOc2ccc(-c3cnc(COc4ccccc4)[nH]3)cc2)cc1
InChIInChI=1S/C25H22N2O4/c28-25(29)20-8-6-18(7-9-20)14-15-30-22-12-10-19(11-13-22)23-16-26-24(27-23)17-31-21-4-2-1-3-5-21/h1-13,16H,14-15,17H2,(H,26,27)(H,28,29)
InChIKeyIFNRGHRRPXCSKT-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.98
Rot. Bonds9

About 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid

4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid (PubChem CID 69142534) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid
PubChem CID69142534
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCOc2ccc(-c3cnc(COc4ccccc4)[nH]3)cc2)cc1
InChIInChI=1S/C25H22N2O4/c28-25(29)20-8-6-18(7-9-20)14-15-30-22-12-10-19(11-13-22)23-16-26-24(27-23)17-31-21-4-2-1-3-5-21/h1-13,16H,14-15,17H2,(H,26,27)(H,28,29)
InChIKeyIFNRGHRRPXCSKT-UHFFFAOYSA-N
XLogP4.98
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]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-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
CID 11487705
4-[1-[2-(phenoxymethyl)-1H-imidazol-5-yl]ethyl]benzoic acid
CID 69142904
2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid
CID 82168730
5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
CID 142805619
1-ethyl-3-[4-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]phenyl]thiourea
CID 23654131
4-phenylmethoxybenzoic acid
CID 68896574
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
CID 141111736
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid?
The IUPAC name of 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid (CID 69142534) is 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid is O=C(O)c1ccc(CCOc2ccc(-c3cnc(COc4ccccc4)[nH]3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid?
The InChIKey is IFNRGHRRPXCSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c28-25(29)20-8-6-18(7-9-20)14-15-30-22-12-10-19(11-13-22)23-16-26-24(27-23)17-31-21-4-2-1-3-5-21/h1-13,16H,14-15,17H2,(H,26,27)(H,28,29).
What are the key properties of 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid?
4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid has a molecular weight of 414.46 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid is sourced from PubChem (CID 69142534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).