4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid

C11H11F2N3O2 — CID 82359205

IUPAC4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
SMILESNc1nc2cc(F)c(F)cc2n1CCCC(=O)O
InChIInChI=1S/C11H11F2N3O2/c12-6-4-8-9(5-7(6)13)16(11(14)15-8)3-1-2-10(17)18/h4-5H,1-3H2,(H2,14,15)(H,17,18)
InChIKeyBYNKJRBITLVEKQ-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.76
Rot. Bonds4

About 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid

4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid (PubChem CID 82359205) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
PubChem CID82359205
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
SMILESNc1nc2cc(F)c(F)cc2n1CCCC(=O)O
InChIInChI=1S/C11H11F2N3O2/c12-6-4-8-9(5-7(6)13)16(11(14)15-8)3-1-2-10(17)18/h4-5H,1-3H2,(H2,14,15)(H,17,18)
InChIKeyBYNKJRBITLVEKQ-UHFFFAOYSA-N
XLogP1.76
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82150067
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
CID 106239994
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
3-[5,6-difluoro-2-(4-hydroxybutyl)benzimidazol-1-yl]propanoic acid
CID 79193832
4-(5,6-difluorobenzotriazol-1-yl)butanoic acid
CID 82147401
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid (CID 82359205) is 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid is Nc1nc2cc(F)c(F)cc2n1CCCC(=O)O.
What is the InChIKey of 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid?
The InChIKey is BYNKJRBITLVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-6-4-8-9(5-7(6)13)16(11(14)15-8)3-1-2-10(17)18/h4-5H,1-3H2,(H2,14,15)(H,17,18).
What are the key properties of 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid?
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid has a molecular weight of 255.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 82359205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).