2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid

C14H12N2O2S — CID 63246775

IUPAC2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1Cc1ccsc1
InChIInChI=1S/C14H12N2O2S/c1-9-15-12-6-11(14(17)18)2-3-13(12)16(9)7-10-4-5-19-8-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUSNDZAFXQDADAF-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.15
Rot. Bonds3

About 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid

2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 63246775) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID63246775
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1Cc1ccsc1
InChIInChI=1S/C14H12N2O2S/c1-9-15-12-6-11(14(17)18)2-3-13(12)16(9)7-10-4-5-19-8-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUSNDZAFXQDADAF-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid (CID 63246775) is 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1Cc1ccsc1.
What is the InChIKey of 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is USNDZAFXQDADAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-15-12-6-11(14(17)18)2-3-13(12)16(9)7-10-4-5-19-8-10/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 63246775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).