2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid

C16H16N2O2S — CID 115543008

IUPAC2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CCc1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-14-17-15-12(16(19)20)6-3-7-13(15)18(14)9-8-11-5-4-10-21-11/h3-7,10H,2,8-9H2,1H3,(H,19,20)
InChIKeyLCYLSCGQOJDUHE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.60
Rot. Bonds5

About 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid

2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid (PubChem CID 115543008) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
PubChem CID115543008
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CCc1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-14-17-15-12(16(19)20)6-3-7-13(15)18(14)9-8-11-5-4-10-21-11/h3-7,10H,2,8-9H2,1H3,(H,19,20)
InChIKeyLCYLSCGQOJDUHE-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805
2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
CID 106304934
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole-4-carboxylic acid
CID 106432165
1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115543775
2-ethyl-1-(1,2-oxazol-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 115543951
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543581
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113332174
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
1-[2-(dimethylamino)propyl]-2-propylbenzimidazole-4-carboxylic acid
CID 115543429
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid (CID 115543008) is 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid is CCc1nc2c(C(=O)O)cccc2n1CCc1cccs1.
What is the InChIKey of 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
The InChIKey is LCYLSCGQOJDUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-14-17-15-12(16(19)20)6-3-7-13(15)18(14)9-8-11-5-4-10-21-11/h3-7,10H,2,8-9H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).