6-chloro-1-methylbenzimidazole-2-carboxylic acid

C9H7ClN2O2 — CID 83868060

IUPAC6-chloro-1-methylbenzimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClN2O2/c1-12-7-4-5(10)2-3-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyUXXOGIHIFFPSFC-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.92
Rot. Bonds1

About 6-chloro-1-methylbenzimidazole-2-carboxylic acid

6-chloro-1-methylbenzimidazole-2-carboxylic acid (PubChem CID 83868060) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-1-methylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-methylbenzimidazole-2-carboxylic acid
PubChem CID83868060
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-1-methylbenzimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClN2O2/c1-12-7-4-5(10)2-3-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyUXXOGIHIFFPSFC-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylbenzimidazole-2-carboxylic acid?
The IUPAC name of 6-chloro-1-methylbenzimidazole-2-carboxylic acid (CID 83868060) is 6-chloro-1-methylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-methylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-methylbenzimidazole-2-carboxylic acid is Cn1c(C(=O)O)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methylbenzimidazole-2-carboxylic acid?
The InChIKey is UXXOGIHIFFPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-12-7-4-5(10)2-3-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 6-chloro-1-methylbenzimidazole-2-carboxylic acid?
6-chloro-1-methylbenzimidazole-2-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 83868060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).