3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid

C15H8F2N4O2 — CID 163890077

IUPAC3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
InChIInChI=1S/C15H8F2N4O2/c16-8-4-11-12(5-9(8)17)20-15(19-11)21-6-18-10-2-1-7(14(22)23)3-13(10)21/h1-6H,(H,19,20)(H,22,23)
InChIKeyQAUNMIZEKVXULH-UHFFFAOYSA-N
MW314.25 g/mol
LogP2.88
Rot. Bonds2

About 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid

3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 163890077) has the molecular formula C15H8F2N4O2 and a molecular weight of 314.25 g/mol. Its IUPAC name is 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid
PubChem CID163890077
Molecular FormulaC15H8F2N4O2
Molecular Weight314.25 g/mol
Exact Mass314.06
IUPAC Name3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
InChIInChI=1S/C15H8F2N4O2/c16-8-4-11-12(5-9(8)17)20-15(19-11)21-6-18-10-2-1-7(14(22)23)3-13(10)21/h1-6H,(H,19,20)(H,22,23)
InChIKeyQAUNMIZEKVXULH-UHFFFAOYSA-N
XLogP2.88
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
3-(4-methoxy-1H-pyrrol-3-yl)benzimidazole-5-carboxylic acid
CID 176893020
6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 143868897
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
CID 107464233
3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
CID 82790901
2-[1-iodo-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzimidazole-5-carboxylic acid
CID 70130305

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid (CID 163890077) is 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3nc4cc(F)c(F)cc4[nH]3)c2c1.
What is the InChIKey of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is QAUNMIZEKVXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4O2/c16-8-4-11-12(5-9(8)17)20-15(19-11)21-6-18-10-2-1-7(14(22)23)3-13(10)21/h1-6H,(H,19,20)(H,22,23).
What are the key properties of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid?
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 314.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 163890077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).