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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 82773669
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 18681123
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
2-methyl-3-[(2-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 113464060
2-methyl-3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82774842
3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
CID 82790905
2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
CID 82790543
2-methyl-3-(thian-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791173
3-[2-(dimethylsulfamoyl)ethyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106339674
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82773786
2-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 82774350
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
CID 106003502

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).