3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid

C13H12Cl2N2O3 — CID 62737720

IUPAC3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
SMILESCCn1ccnc1COc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H12Cl2N2O3/c1-2-17-4-3-16-11(17)7-20-12-9(13(18)19)5-8(14)6-10(12)15/h3-6H,2,7H2,1H3,(H,18,19)
InChIKeyZQPZGYRXUKRFMU-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.49
Rot. Bonds5

About 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid

3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid (PubChem CID 62737720) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
PubChem CID62737720
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
SMILESCCn1ccnc1COc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H12Cl2N2O3/c1-2-17-4-3-16-11(17)7-20-12-9(13(18)19)5-8(14)6-10(12)15/h3-6H,2,7H2,1H3,(H,18,19)
InChIKeyZQPZGYRXUKRFMU-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
CID 62736229
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]-5-methoxybenzoic acid
CID 62737339
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
CID 102881324
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79888570
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid (CID 62737720) is 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid is CCn1ccnc1COc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid?
The InChIKey is ZQPZGYRXUKRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-2-17-4-3-16-11(17)7-20-12-9(13(18)19)5-8(14)6-10(12)15/h3-6H,2,7H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid?
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid has a molecular weight of 315.16 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 62737720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).