4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid

C13H16N2O2 — CID 80502897

IUPAC4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
SMILESCCc1ccc2nc(CCCC(=O)O)[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-2-9-6-7-10-11(8-9)15-12(14-10)4-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyYEZLJTXLLJHJRL-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.53
Rot. Bonds5

About 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid

4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid (PubChem CID 80502897) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
PubChem CID80502897
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
SMILESCCc1ccc2nc(CCCC(=O)O)[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-2-9-6-7-10-11(8-9)15-12(14-10)4-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyYEZLJTXLLJHJRL-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
3-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylsulfanyl]propanoic acid
CID 82337242
4-[(6-ethyl-1H-benzimidazol-2-yl)methylsulfanyl]butanoic acid
CID 82337190
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
5-(6-bromo-1H-benzimidazol-2-yl)pentanoic acid
CID 54920063
4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid
CID 1093223
4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
CID 82001975
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid
CID 162023239
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
CID 82001351

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid (CID 80502897) is 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid is CCc1ccc2nc(CCCC(=O)O)[nH]c2c1.
What is the InChIKey of 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid?
The InChIKey is YEZLJTXLLJHJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-9-6-7-10-11(8-9)15-12(14-10)4-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid?
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 80502897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).