3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid

C10H10BrN3O2 — CID 84739104

IUPAC3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2c(Br)cccc2n1CCC(=O)O
InChIInChI=1S/C10H10BrN3O2/c11-6-2-1-3-7-9(6)13-10(12)14(7)5-4-8(15)16/h1-3H,4-5H2,(H2,12,13)(H,15,16)
InChIKeyYPOLDRRTEJGMFK-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.86
Rot. Bonds3

About 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid

3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid (PubChem CID 84739104) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
PubChem CID84739104
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2c(Br)cccc2n1CCC(=O)O
InChIInChI=1S/C10H10BrN3O2/c11-6-2-1-3-7-9(6)13-10(12)14(7)5-4-8(15)16/h1-3H,4-5H2,(H2,12,13)(H,15,16)
InChIKeyYPOLDRRTEJGMFK-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-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
CID 84804855
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
3-(7-bromoindazol-2-yl)propanoic acid
CID 84729974
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid (CID 84739104) is 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid is Nc1nc2c(Br)cccc2n1CCC(=O)O.
What is the InChIKey of 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid?
The InChIKey is YPOLDRRTEJGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-6-2-1-3-7-9(6)13-10(12)14(7)5-4-8(15)16/h1-3H,4-5H2,(H2,12,13)(H,15,16).
What are the key properties of 3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid?
3-(2-amino-4-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-4-bromobenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 84739104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).