2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid

C17H12BrFN2O2 — CID 82560852

IUPAC2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1ccnc1-c1cc(F)cc(Br)c1
InChIInChI=1S/C17H12BrFN2O2/c18-13-7-12(8-14(19)9-13)16-20-5-6-21(16)10-11-3-1-2-4-15(11)17(22)23/h1-9H,10H2,(H,22,23)
InChIKeyRFSFSIZYNGAQEO-UHFFFAOYSA-N
MW375.20 g/mol
LogP4.20
Rot. Bonds4

About 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid

2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560852) has the molecular formula C17H12BrFN2O2 and a molecular weight of 375.20 g/mol. Its IUPAC name is 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
PubChem CID82560852
Molecular FormulaC17H12BrFN2O2
Molecular Weight375.20 g/mol
Exact Mass374.01
IUPAC Name2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1ccnc1-c1cc(F)cc(Br)c1
InChIInChI=1S/C17H12BrFN2O2/c18-13-7-12(8-14(19)9-13)16-20-5-6-21(16)10-11-3-1-2-4-15(11)17(22)23/h1-9H,10H2,(H,22,23)
InChIKeyRFSFSIZYNGAQEO-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560539
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
2-[[2-(4-tert-butylphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560688
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
CID 82561345
2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
CID 82559780
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 79700240
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 43470471
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
5-methyl-4-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80727244
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid (CID 82560852) is 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid is O=C(O)c1ccccc1Cn1ccnc1-c1cc(F)cc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The InChIKey is RFSFSIZYNGAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2/c18-13-7-12(8-14(19)9-13)16-20-5-6-21(16)10-11-3-1-2-4-15(11)17(22)23/h1-9H,10H2,(H,22,23).
What are the key properties of 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid has a molecular weight of 375.20 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).