2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid

C11H12N2O2 — CID 3159719

IUPAC2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
SMILESCc1cc(C)c2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-6-3-7(2)11-8(4-6)12-9(13-11)5-10(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIHVAWDKGYTYBBR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.81
Rot. Bonds2

About 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid

2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid (PubChem CID 3159719) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
PubChem CID3159719
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
SMILESCc1cc(C)c2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-6-3-7(2)11-8(4-6)12-9(13-11)5-10(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIHVAWDKGYTYBBR-UHFFFAOYSA-N
XLogP1.81
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid (CID 3159719) is 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid is Cc1cc(C)c2nc(CC(=O)O)[nH]c2c1.
What is the InChIKey of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid?
The InChIKey is IHVAWDKGYTYBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-3-7(2)11-8(4-6)12-9(13-11)5-10(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid?
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid is sourced from PubChem (CID 3159719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).