2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid

C11H12FN3O2 — CID 83842401

IUPAC2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nc2cccc(F)c2n1C
InChIInChI=1S/C11H12FN3O2/c1-14(6-9(16)17)11-13-8-5-3-4-7(12)10(8)15(11)2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyRHSHGNOVQMFKOW-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.23
Rot. Bonds3

About 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid

2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid (PubChem CID 83842401) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid
PubChem CID83842401
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nc2cccc(F)c2n1C
InChIInChI=1S/C11H12FN3O2/c1-14(6-9(16)17)11-13-8-5-3-4-7(12)10(8)15(11)2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyRHSHGNOVQMFKOW-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid (CID 83842401) is 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid is CN(CC(=O)O)c1nc2cccc(F)c2n1C.
What is the InChIKey of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid?
The InChIKey is RHSHGNOVQMFKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-14(6-9(16)17)11-13-8-5-3-4-7(12)10(8)15(11)2/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid?
2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid has a molecular weight of 237.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 83842401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).