1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid

C14H8F2N2O2 — CID 115542827

IUPAC1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2-c1cc(F)ccc1F
InChIInChI=1S/C14H8F2N2O2/c15-8-4-5-10(16)12(6-8)18-7-17-13-9(14(19)20)2-1-3-11(13)18/h1-7H,(H,19,20)
InChIKeyVYUTXGMMVIRUNS-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.00
Rot. Bonds2

About 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid

1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid (PubChem CID 115542827) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
PubChem CID115542827
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2-c1cc(F)ccc1F
InChIInChI=1S/C14H8F2N2O2/c15-8-4-5-10(16)12(6-8)18-7-17-13-9(14(19)20)2-1-3-11(13)18/h1-7H,(H,19,20)
InChIKeyVYUTXGMMVIRUNS-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)benzotriazole-4-carboxylic acid
CID 115541689
1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 107593291
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
CID 115542688
1-(2-cyano-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 107800016
1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592
6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290745
1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 82860467

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid (CID 115542827) is 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1ncn2-c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid?
The InChIKey is VYUTXGMMVIRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-8-4-5-10(16)12(6-8)18-7-17-13-9(14(19)20)2-1-3-11(13)18/h1-7H,(H,19,20).
What are the key properties of 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid?
1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).