2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid

C19H25ClN2O3 — CID 70576854

IUPAC2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid
SMILESCCCCc1nc(Cl)c(C(Cc2ccccc2OCCC)C(=O)O)[nH]1
InChIInChI=1S/C19H25ClN2O3/c1-3-5-10-16-21-17(18(20)22-16)14(19(23)24)12-13-8-6-7-9-15(13)25-11-4-2/h6-9,14H,3-5,10-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLPOZPUWDUMYQGF-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.61
Rot. Bonds10

About 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid

2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid (PubChem CID 70576854) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid
PubChem CID70576854
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid
SMILESCCCCc1nc(Cl)c(C(Cc2ccccc2OCCC)C(=O)O)[nH]1
InChIInChI=1S/C19H25ClN2O3/c1-3-5-10-16-21-17(18(20)22-16)14(19(23)24)12-13-8-6-7-9-15(13)25-11-4-2/h6-9,14H,3-5,10-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLPOZPUWDUMYQGF-UHFFFAOYSA-N
XLogP4.61
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
2-(4-aminophenyl)-3-(2-propoxyphenyl)propanoic acid
CID 83954423
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
3-(2-butoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83954499
3-(2-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83954608
2-[2-butyl-5-chloro-3-[(2-propoxyphenyl)methyl]imidazol-4-yl]acetic acid
CID 20521508
3-(2-butoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83954502
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
2-(3-fluoro-4-methylphenyl)-3-(2-pentoxyphenyl)propanoic acid
CID 83954603
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid (CID 70576854) is 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid is CCCCc1nc(Cl)c(C(Cc2ccccc2OCCC)C(=O)O)[nH]1.
What is the InChIKey of 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid?
The InChIKey is LPOZPUWDUMYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-3-5-10-16-21-17(18(20)22-16)14(19(23)24)12-13-8-6-7-9-15(13)25-11-4-2/h6-9,14H,3-5,10-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid?
2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid has a molecular weight of 364.87 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4-chloro-1H-imidazol-5-yl)-3-(2-propoxyphenyl)propanoic acid is sourced from PubChem (CID 70576854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).