2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid

C11H12FN3O2 — CID 83842413

IUPAC2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid
SMILESCc1cc2nc(NCC(=O)O)n(C)c2cc1F
InChIInChI=1S/C11H12FN3O2/c1-6-3-8-9(4-7(6)12)15(2)11(14-8)13-5-10(16)17/h3-4H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyYJWWAYOZUVVONU-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.52
Rot. Bonds3

About 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid

2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid (PubChem CID 83842413) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid
PubChem CID83842413
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid
SMILESCc1cc2nc(NCC(=O)O)n(C)c2cc1F
InChIInChI=1S/C11H12FN3O2/c1-6-3-8-9(4-7(6)12)15(2)11(14-8)13-5-10(16)17/h3-4H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyYJWWAYOZUVVONU-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
CID 83838990
6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
CID 103592548
2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 83857842
4-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82359658
5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine
CID 131997885
2-[5-fluoro-6-methyl-1-(3-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 103592581
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
2-[5-fluoro-6-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 103592566
3-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]propanoic acid
CID 94748004
2-[1-[2-(dimethylamino)ethyl]-5-fluoro-6-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 103592549
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid (CID 83842413) is 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid is Cc1cc2nc(NCC(=O)O)n(C)c2cc1F.
What is the InChIKey of 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid?
The InChIKey is YJWWAYOZUVVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-6-3-8-9(4-7(6)12)15(2)11(14-8)13-5-10(16)17/h3-4H,5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid?
2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid has a molecular weight of 237.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 83842413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).