2-(6-cyano-1H-benzimidazol-2-yl)acetic acid

C10H7N3O2 — CID 22002129

IUPAC2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
SMILESN#Cc1ccc2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C10H7N3O2/c11-5-6-1-2-7-8(3-6)13-9(12-7)4-10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyKLAAZELRHNBKLV-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.06
Rot. Bonds2

About 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid

2-(6-cyano-1H-benzimidazol-2-yl)acetic acid (PubChem CID 22002129) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
PubChem CID22002129
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
SMILESN#Cc1ccc2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C10H7N3O2/c11-5-6-1-2-7-8(3-6)13-9(12-7)4-10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyKLAAZELRHNBKLV-UHFFFAOYSA-N
XLogP1.06
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid (CID 22002129) is 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid is N#Cc1ccc2nc(CC(=O)O)[nH]c2c1.
What is the InChIKey of 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid?
The InChIKey is KLAAZELRHNBKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c11-5-6-1-2-7-8(3-6)13-9(12-7)4-10(14)15/h1-3H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid?
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid has a molecular weight of 201.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-1H-benzimidazol-2-yl)acetic acid is sourced from PubChem (CID 22002129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).