6-chloro-1-ethylbenzimidazole-5-carboxylic acid

C10H9ClN2O2 — CID 112756928

IUPAC6-chloro-1-ethylbenzimidazole-5-carboxylic acid
SMILESCCn1cnc2cc(C(=O)O)c(Cl)cc21
InChIInChI=1S/C10H9ClN2O2/c1-2-13-5-12-8-3-6(10(14)15)7(11)4-9(8)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyUDTGQDAERJOFLY-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.41
Rot. Bonds2

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

6-chloro-1-ethylbenzimidazole-5-carboxylic acid (PubChem CID 112756928) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-1-ethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-ethylbenzimidazole-5-carboxylic acid
PubChem CID112756928
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-1-ethylbenzimidazole-5-carboxylic acid
SMILESCCn1cnc2cc(C(=O)O)c(Cl)cc21
InChIInChI=1S/C10H9ClN2O2/c1-2-13-5-12-8-3-6(10(14)15)7(11)4-9(8)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyUDTGQDAERJOFLY-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-ethylbenzimidazole-5-carboxylic acid
CID 84722042
5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole
CID 67605754
6-chloro-1-methylbenzimidazole-5-carboxamide
CID 112756940
2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
CID 82493365
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
6-chloro-1H-benzimidazole-5-carboxylic acid
CID 57429095
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
CID 82502054
1-ethyl-5-isocyanobenzimidazole
CID 140845990
(3-ethylbenzimidazol-5-yl)boronic acid
CID 130053676
3-ethylimidazo[4,5-c]pyridin-6-amine
CID 115012751
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 6-chloro-1-ethylbenzimidazole-5-carboxylic acid (CID 112756928) is 6-chloro-1-ethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-chloro-1-ethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 6-chloro-1-ethylbenzimidazole-5-carboxylic acid is CCn1cnc2cc(C(=O)O)c(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethylbenzimidazole-5-carboxylic acid?
The InChIKey is UDTGQDAERJOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13-5-12-8-3-6(10(14)15)7(11)4-9(8)13/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 6-chloro-1-ethylbenzimidazole-5-carboxylic acid?
6-chloro-1-ethylbenzimidazole-5-carboxylic acid has a molecular weight of 224.65 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 112756928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).