5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid

C14H15ClN2O3 — CID 66154784

IUPAC5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
SMILESCC(C)n1cncc1COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H15ClN2O3/c1-9(2)17-8-16-6-11(17)7-20-13-4-3-10(15)5-12(13)14(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyARXUCHJWWLWMJW-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.39
Rot. Bonds5

About 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid

5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid (PubChem CID 66154784) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
PubChem CID66154784
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
SMILESCC(C)n1cncc1COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H15ClN2O3/c1-9(2)17-8-16-6-11(17)7-20-13-4-3-10(15)5-12(13)14(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyARXUCHJWWLWMJW-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154595
N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66153433
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66152678
5-chloro-2-(2H-tetrazol-5-ylmethoxy)benzoic acid
CID 154268180
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 43524871
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82105679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid (CID 66154784) is 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid is CC(C)n1cncc1COc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
The InChIKey is ARXUCHJWWLWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9(2)17-8-16-6-11(17)7-20-13-4-3-10(15)5-12(13)14(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid has a molecular weight of 294.74 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 66154784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).