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

C10H10ClN3O2 — CID 84736899

IUPAC3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2c(Cl)cccc2n1CCC(=O)O
InChIInChI=1S/C10H10ClN3O2/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)
InChIKeyQZNLCCRMNUICKR-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.75
Rot. Bonds3

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

3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid (PubChem CID 84736899) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
PubChem CID84736899
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
SMILESNc1nc2c(Cl)cccc2n1CCC(=O)O
InChIInChI=1S/C10H10ClN3O2/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)
InChIKeyQZNLCCRMNUICKR-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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Related Compounds

3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid (CID 84736899) is 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid is Nc1nc2c(Cl)cccc2n1CCC(=O)O.
What is the InChIKey of 3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid?
The InChIKey is QZNLCCRMNUICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/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-chlorobenzimidazol-1-yl)propanoic acid?
3-(2-amino-4-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-4-chlorobenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 84736899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).