2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid

C16H21N3O2 — CID 82773344

IUPAC2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CCN1CCCC1
InChIInChI=1S/C16H21N3O2/c1-2-15-17-13-6-5-12(16(20)21)11-14(13)19(15)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,21)
InChIKeyHFJJWTMYTWVQNA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds5

About 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid

2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid (PubChem CID 82773344) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
PubChem CID82773344
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CCN1CCCC1
InChIInChI=1S/C16H21N3O2/c1-2-15-17-13-6-5-12(16(20)21)11-14(13)19(15)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,21)
InChIKeyHFJJWTMYTWVQNA-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-3-(2-pyrrolidin-1-ylethyl)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-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
CID 82791085
2-ethyl-3-(3-methoxy-3-oxopropyl)benzimidazole-5-carboxylic acid
CID 82790769
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 82790766
2-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole-5-carboxylic acid
CID 82774613
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
2-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 82774350

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid (CID 82773344) is 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1CCN1CCCC1.
What is the InChIKey of 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is HFJJWTMYTWVQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-15-17-13-6-5-12(16(20)21)11-14(13)19(15)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid?
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).