2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid

C11H12N2O2 — CID 89334468

IUPAC2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid
SMILESC=C1N(C)c2ccccc2N1CC(=O)O
InChIInChI=1S/C11H12N2O2/c1-8-12(2)9-5-3-4-6-10(9)13(8)7-11(14)15/h3-6H,1,7H2,2H3,(H,14,15)
InChIKeyYTGGKYBDAUFSFL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.50
Rot. Bonds2

About 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid

2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid (PubChem CID 89334468) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid
PubChem CID89334468
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid
SMILESC=C1N(C)c2ccccc2N1CC(=O)O
InChIInChI=1S/C11H12N2O2/c1-8-12(2)9-5-3-4-6-10(9)13(8)7-11(14)15/h3-6H,1,7H2,2H3,(H,14,15)
InChIKeyYTGGKYBDAUFSFL-UHFFFAOYSA-N
XLogP1.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid (CID 89334468) is 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid is C=C1N(C)c2ccccc2N1CC(=O)O.
What is the InChIKey of 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid?
The InChIKey is YTGGKYBDAUFSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-12(2)9-5-3-4-6-10(9)13(8)7-11(14)15/h3-6H,1,7H2,2H3,(H,14,15).
What are the key properties of 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid?
2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 89334468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).