4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid

C19H16Cl2N2O3 — CID 167507029

IUPAC4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3/c20-15-5-6-16(17(21)9-15)18(10-23-8-7-22-12-23)26-11-13-1-3-14(4-2-13)19(24)25/h1-9,12,18H,10-11H2,(H,24,25)
InChIKeySGWWHTBGWRYYKQ-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.85
Rot. Bonds7

About 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid

4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid (PubChem CID 167507029) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
PubChem CID167507029
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3/c20-15-5-6-16(17(21)9-15)18(10-23-8-7-22-12-23)26-11-13-1-3-14(4-2-13)19(24)25/h1-9,12,18H,10-11H2,(H,24,25)
InChIKeySGWWHTBGWRYYKQ-UHFFFAOYSA-N
XLogP4.85
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
1-[(2R)-2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 76963410
1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
CID 162318190
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934
5-[3-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]phenyl]phenyl]-2H-tetrazole
CID 51001699
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
CID 18615661
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid?
The IUPAC name of 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid (CID 167507029) is 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid.
What is the SMILES notation for 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid?
The canonical SMILES for 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid is O=C(O)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid?
The InChIKey is SGWWHTBGWRYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c20-15-5-6-16(17(21)9-15)18(10-23-8-7-22-12-23)26-11-13-1-3-14(4-2-13)19(24)25/h1-9,12,18H,10-11H2,(H,24,25).
What are the key properties of 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid?
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid has a molecular weight of 391.25 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid is sourced from PubChem (CID 167507029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).