2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid

C14H11N3O4S — CID 143935625

IUPAC2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C14H11N3O4S/c18-8-4-3-7(14(21)15-6-10(19)20)11-12(8)17-13(16-11)9-2-1-5-22-9/h1-5,18H,6H2,(H,15,21)(H,16,17)(H,19,20)
InChIKeyONYUPXLLOYTZOY-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.81
Rot. Bonds4

About 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid

2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid (PubChem CID 143935625) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid
PubChem CID143935625
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C14H11N3O4S/c18-8-4-3-7(14(21)15-6-10(19)20)11-12(8)17-13(16-11)9-2-1-5-22-9/h1-5,18H,6H2,(H,15,21)(H,16,17)(H,19,20)
InChIKeyONYUPXLLOYTZOY-UHFFFAOYSA-N
XLogP1.81
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid (CID 143935625) is 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is ONYUPXLLOYTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-8-4-3-7(14(21)15-6-10(19)20)11-12(8)17-13(16-11)9-2-1-5-22-9/h1-5,18H,6H2,(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid?
2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 317.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 143935625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).