4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid

C11H6BrFN4O2 — CID 136999130

IUPAC4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H6BrFN4O2/c12-4-1-6-7(2-5(4)13)17-10(16-6)8-9(11(18)19)15-3-14-8/h1-3H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyDWGGYEZBEHNZNS-UHFFFAOYSA-N
MW325.10 g/mol
LogP2.55
Rot. Bonds2

About 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid

4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 136999130) has the molecular formula C11H6BrFN4O2 and a molecular weight of 325.10 g/mol. Its IUPAC name is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID136999130
Molecular FormulaC11H6BrFN4O2
Molecular Weight325.10 g/mol
Exact Mass323.97
IUPAC Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H6BrFN4O2/c12-4-1-6-7(2-5(4)13)17-10(16-6)8-9(11(18)19)15-3-14-8/h1-3H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyDWGGYEZBEHNZNS-UHFFFAOYSA-N
XLogP2.55
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.10
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136991657
4-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999132
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
4-(7H-purin-8-yl)-1H-imidazole-5-carboxylic acid
CID 114401826
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136991636
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid (CID 136999130) is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is DWGGYEZBEHNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4O2/c12-4-1-6-7(2-5(4)13)17-10(16-6)8-9(11(18)19)15-3-14-8/h1-3H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 325.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 136999130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).