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

C10H10FN3O2 — CID 83838990

IUPAC2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
SMILESCn1c(NCC(=O)O)nc2cccc(F)c21
InChIInChI=1S/C10H10FN3O2/c1-14-9-6(11)3-2-4-7(9)13-10(14)12-5-8(15)16/h2-4H,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyAJCKBNSRDLZSCX-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.21
Rot. Bonds3

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

2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid (PubChem CID 83838990) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
PubChem CID83838990
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
SMILESCn1c(NCC(=O)O)nc2cccc(F)c21
InChIInChI=1S/C10H10FN3O2/c1-14-9-6(11)3-2-4-7(9)13-10(14)12-5-8(15)16/h2-4H,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyAJCKBNSRDLZSCX-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid (CID 83838990) is 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid is Cn1c(NCC(=O)O)nc2cccc(F)c21.
What is the InChIKey of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid?
The InChIKey is AJCKBNSRDLZSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-14-9-6(11)3-2-4-7(9)13-10(14)12-5-8(15)16/h2-4H,5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid?
2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid has a molecular weight of 223.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 83838990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).