2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

C12H5Cl2FN2O2S — CID 107963408

IUPAC2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cc(Cl)sc3Cl)[nH]c2cc1F
InChIInChI=1S/C12H5Cl2FN2O2S/c13-9-2-5(10(14)20-9)11-16-7-1-4(12(18)19)6(15)3-8(7)17-11/h1-3H,(H,16,17)(H,18,19)
InChIKeyLMRAYBSLFCXVCN-UHFFFAOYSA-N
MW331.16 g/mol
LogP4.44
Rot. Bonds2

About 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid (PubChem CID 107963408) has the molecular formula C12H5Cl2FN2O2S and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
PubChem CID107963408
Molecular FormulaC12H5Cl2FN2O2S
Molecular Weight331.16 g/mol
Exact Mass329.94
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cc(Cl)sc3Cl)[nH]c2cc1F
InChIInChI=1S/C12H5Cl2FN2O2S/c13-9-2-5(10(14)20-9)11-16-7-1-4(12(18)19)6(15)3-8(7)17-11/h1-3H,(H,16,17)(H,18,19)
InChIKeyLMRAYBSLFCXVCN-UHFFFAOYSA-N
XLogP4.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107989457
6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
CID 113398072
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114021462
6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
CID 113398057
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
5-chloro-6-fluoro-1H-benzimidazole-2-carboxylic acid
CID 68636952
5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
CID 114021455
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
2-[2-chloro-6-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(3-methylbutanoyl)benzoic acid
CID 161452426
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid (CID 107963408) is 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2nc(-c3cc(Cl)sc3Cl)[nH]c2cc1F.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The InChIKey is LMRAYBSLFCXVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2O2S/c13-9-2-5(10(14)20-9)11-16-7-1-4(12(18)19)6(15)3-8(7)17-11/h1-3H,(H,16,17)(H,18,19).
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid has a molecular weight of 331.16 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 107963408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).