2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid

C14H15BrN2O3 — CID 116882773

IUPAC2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2cc(Br)ccc2OC)[nH]1
InChIInChI=1S/C14H15BrN2O3/c1-3-9(14(18)19)13-16-7-11(17-13)10-6-8(15)4-5-12(10)20-2/h4-7,9H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZHUOLBXMDXKMCX-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.43
Rot. Bonds5

About 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid

2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116882773) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116882773
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2cc(Br)ccc2OC)[nH]1
InChIInChI=1S/C14H15BrN2O3/c1-3-9(14(18)19)13-16-7-11(17-13)10-6-8(15)4-5-12(10)20-2/h4-7,9H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZHUOLBXMDXKMCX-UHFFFAOYSA-N
XLogP3.43
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881469
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882765
methyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]butanoate
CID 116883074
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882670
2-amino-2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881506
1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880798
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid (CID 116882773) is 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid is CCC(C(=O)O)c1ncc(-c2cc(Br)ccc2OC)[nH]1.
What is the InChIKey of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is ZHUOLBXMDXKMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-9(14(18)19)13-16-7-11(17-13)10-6-8(15)4-5-12(10)20-2/h4-7,9H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 339.19 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid is sourced from PubChem (CID 116882773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).