3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid

C10H10BrN3O2 — CID 84739102

IUPAC3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2ccc(Br)cc2n1CCC(=O)O
InChIInChI=1S/C10H10BrN3O2/c11-6-1-2-7-8(5-6)14(10(12)13-7)4-3-9(15)16/h1-2,5H,3-4H2,(H2,12,13)(H,15,16)
InChIKeyMFUQGSGUWYTLAS-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.86
Rot. Bonds3

About 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid

3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid (PubChem CID 84739102) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
PubChem CID84739102
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2ccc(Br)cc2n1CCC(=O)O
InChIInChI=1S/C10H10BrN3O2/c11-6-1-2-7-8(5-6)14(10(12)13-7)4-3-9(15)16/h1-2,5H,3-4H2,(H2,12,13)(H,15,16)
InChIKeyMFUQGSGUWYTLAS-UHFFFAOYSA-N
XLogP1.86
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65345248
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
CID 65347258
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid (CID 84739102) is 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid is Nc1nc2ccc(Br)cc2n1CCC(=O)O.
What is the InChIKey of 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid?
The InChIKey is MFUQGSGUWYTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-6-1-2-7-8(5-6)14(10(12)13-7)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-6-bromobenzimidazol-1-yl)propanoic acid?
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid has a molecular weight of 284.11 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 84739102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).