2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid

C9H8ClN3O2 — CID 84735746

IUPAC2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
SMILESNc1nc2ccc(Cl)cc2n1CC(=O)O
InChIInChI=1S/C9H8ClN3O2/c10-5-1-2-6-7(3-5)13(4-8(14)15)9(11)12-6/h1-3H,4H2,(H2,11,12)(H,14,15)
InChIKeyPTBJNTOBCVRLRE-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.36
Rot. Bonds2

About 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid

2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid (PubChem CID 84735746) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
PubChem CID84735746
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
SMILESNc1nc2ccc(Cl)cc2n1CC(=O)O
InChIInChI=1S/C9H8ClN3O2/c10-5-1-2-6-7(3-5)13(4-8(14)15)9(11)12-6/h1-3H,4H2,(H2,11,12)(H,14,15)
InChIKeyPTBJNTOBCVRLRE-UHFFFAOYSA-N
XLogP1.36
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid
CID 90098433
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
CID 107816969
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
CID 123194154
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid (CID 84735746) is 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid is Nc1nc2ccc(Cl)cc2n1CC(=O)O.
What is the InChIKey of 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid?
The InChIKey is PTBJNTOBCVRLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-5-1-2-6-7(3-5)13(4-8(14)15)9(11)12-6/h1-3H,4H2,(H2,11,12)(H,14,15).
What are the key properties of 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid?
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid has a molecular weight of 225.64 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84735746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).