2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid

C12H7ClN2O2S — CID 11521975

IUPAC2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1
InChIInChI=1S/C12H7ClN2O2S/c13-10-4-3-9(18-10)11-14-7-2-1-6(12(16)17)5-8(7)15-11/h1-5H,(H,14,15)(H,16,17)
InChIKeyZUJDPHAAMYVEKC-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.64
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid

2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 11521975) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid
PubChem CID11521975
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1
InChIInChI=1S/C12H7ClN2O2S/c13-10-4-3-9(18-10)11-14-7-2-1-6(12(16)17)5-8(7)15-11/h1-5H,(H,14,15)(H,16,17)
InChIKeyZUJDPHAAMYVEKC-UHFFFAOYSA-N
XLogP3.64
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid (CID 11521975) is 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is ZUJDPHAAMYVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-10-4-3-9(18-10)11-14-7-2-1-6(12(16)17)5-8(7)15-11/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid?
2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 278.72 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 11521975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).