6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid

C9H4ClF3N2O2 — CID 129314872

IUPAC6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C9H4ClF3N2O2/c10-3-1-4(7(16)17)6-5(2-3)14-8(15-6)9(11,12)13/h1-2H,(H,14,15)(H,16,17)
InChIKeyVSGWMVIBTSHPCQ-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.93
Rot. Bonds1

About 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid

6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 129314872) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID129314872
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C9H4ClF3N2O2/c10-3-1-4(7(16)17)6-5(2-3)14-8(15-6)9(11,12)13/h1-2H,(H,14,15)(H,16,17)
InChIKeyVSGWMVIBTSHPCQ-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid (CID 129314872) is 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is VSGWMVIBTSHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-3-1-4(7(16)17)6-5(2-3)14-8(15-6)9(11,12)13/h1-2H,(H,14,15)(H,16,17).
What are the key properties of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid?
6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 264.59 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 129314872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).