3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid

C10H10ClN3O2 — CID 82359358

IUPAC3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2cc(Cl)ccc2n1CCC(=O)O
InChIInChI=1S/C10H10ClN3O2/c11-6-1-2-8-7(5-6)13-10(12)14(8)4-3-9(15)16/h1-2,5H,3-4H2,(H2,12,13)(H,15,16)
InChIKeyDPRSNBAPUNHZCW-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.75
Rot. Bonds3

About 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid

3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid (PubChem CID 82359358) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
PubChem CID82359358
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2cc(Cl)ccc2n1CCC(=O)O
InChIInChI=1S/C10H10ClN3O2/c11-6-1-2-8-7(5-6)13-10(12)14(8)4-3-9(15)16/h1-2,5H,3-4H2,(H2,12,13)(H,15,16)
InChIKeyDPRSNBAPUNHZCW-UHFFFAOYSA-N
XLogP1.75
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid (CID 82359358) is 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid is Nc1nc2cc(Cl)ccc2n1CCC(=O)O.
What is the InChIKey of 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid?
The InChIKey is DPRSNBAPUNHZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-6-1-2-8-7(5-6)13-10(12)14(8)4-3-9(15)16/h1-2,5H,3-4H2,(H2,12,13)(H,15,16).
What are the key properties of 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid?
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid has a molecular weight of 239.66 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82359358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).