6-amino-1-ethylbenzimidazole-5-carboxylic acid

C10H11N3O2 — CID 84722042

IUPAC6-amino-1-ethylbenzimidazole-5-carboxylic acid
SMILESCCn1cnc2cc(C(=O)O)c(N)cc21
InChIInChI=1S/C10H11N3O2/c1-2-13-5-12-8-3-6(10(14)15)7(11)4-9(8)13/h3-5H,2,11H2,1H3,(H,14,15)
InChIKeyZEWWONOBIPGXAJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.34
Rot. Bonds2

About 6-amino-1-ethylbenzimidazole-5-carboxylic acid

6-amino-1-ethylbenzimidazole-5-carboxylic acid (PubChem CID 84722042) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-amino-1-ethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-ethylbenzimidazole-5-carboxylic acid
PubChem CID84722042
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-amino-1-ethylbenzimidazole-5-carboxylic acid
SMILESCCn1cnc2cc(C(=O)O)c(N)cc21
InChIInChI=1S/C10H11N3O2/c1-2-13-5-12-8-3-6(10(14)15)7(11)4-9(8)13/h3-5H,2,11H2,1H3,(H,14,15)
InChIKeyZEWWONOBIPGXAJ-UHFFFAOYSA-N
XLogP1.34
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-ethylbenzimidazole-5-carboxylic acid
CID 112756928
6-amino-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 84724481
3-ethyl-6-methoxybenzimidazol-5-amine
CID 91671629
3-ethylimidazo[4,5-c]pyridin-6-amine
CID 115012751
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
CID 82502054
2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
CID 82493365
methyl 6-amino-1-methylbenzimidazole-5-carboxylate
CID 131279074
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
1-ethyl-5-isocyanobenzimidazole
CID 140845990
5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole
CID 67605754

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 6-amino-1-ethylbenzimidazole-5-carboxylic acid (CID 84722042) is 6-amino-1-ethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-amino-1-ethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 6-amino-1-ethylbenzimidazole-5-carboxylic acid is CCn1cnc2cc(C(=O)O)c(N)cc21.
What is the InChIKey of 6-amino-1-ethylbenzimidazole-5-carboxylic acid?
The InChIKey is ZEWWONOBIPGXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-13-5-12-8-3-6(10(14)15)7(11)4-9(8)13/h3-5H,2,11H2,1H3,(H,14,15).
What are the key properties of 6-amino-1-ethylbenzimidazole-5-carboxylic acid?
6-amino-1-ethylbenzimidazole-5-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 84722042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).