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

C14H15BrN2O2 — CID 116882782

IUPAC2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2cc(Br)ccc2C)[nH]1
InChIInChI=1S/C14H15BrN2O2/c1-3-10(14(18)19)13-16-7-12(17-13)11-6-9(15)5-4-8(11)2/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGRBMXJYNOCKFIE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.73
Rot. Bonds4

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

2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116882782) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116882782
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2cc(Br)ccc2C)[nH]1
InChIInChI=1S/C14H15BrN2O2/c1-3-10(14(18)19)13-16-7-12(17-13)11-6-9(15)5-4-8(11)2/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGRBMXJYNOCKFIE-UHFFFAOYSA-N
XLogP3.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid (CID 116882782) is 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid is CCC(C(=O)O)c1ncc(-c2cc(Br)ccc2C)[nH]1.
What is the InChIKey of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is GRBMXJYNOCKFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-3-10(14(18)19)13-16-7-12(17-13)11-6-9(15)5-4-8(11)2/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 323.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid is sourced from PubChem (CID 116882782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).