2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid

C15H14N2O2S — CID 82791247

IUPAC2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1ccsc1Cn1c(C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N2O2S/c1-9-5-6-20-14(9)8-17-10(2)16-12-4-3-11(15(18)19)7-13(12)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyBNTAVXHJEQFSEI-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.46
Rot. Bonds3

About 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid

2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 82791247) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
PubChem CID82791247
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1ccsc1Cn1c(C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N2O2S/c1-9-5-6-20-14(9)8-17-10(2)16-12-4-3-11(15(18)19)7-13(12)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyBNTAVXHJEQFSEI-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid (CID 82791247) is 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid is Cc1ccsc1Cn1c(C)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is BNTAVXHJEQFSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-5-6-20-14(9)8-17-10(2)16-12-4-3-11(15(18)19)7-13(12)17/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid?
2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).