5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid

C11H13N3O2 — CID 84786621

IUPAC5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
SMILESCCn1c(C(=O)O)nc2cc(CN)ccc21
InChIInChI=1S/C11H13N3O2/c1-2-14-9-4-3-7(6-12)5-8(9)13-10(14)11(15)16/h3-5H,2,6,12H2,1H3,(H,15,16)
InChIKeyQHMFVXBECABBRD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.21
Rot. Bonds3

About 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid

5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid (PubChem CID 84786621) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
PubChem CID84786621
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
SMILESCCn1c(C(=O)O)nc2cc(CN)ccc21
InChIInChI=1S/C11H13N3O2/c1-2-14-9-4-3-7(6-12)5-8(9)13-10(14)11(15)16/h3-5H,2,6,12H2,1H3,(H,15,16)
InChIKeyQHMFVXBECABBRD-UHFFFAOYSA-N
XLogP1.21
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
1-ethylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 131128805
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
methyl 5-(aminomethyl)-1-methylbenzimidazole-2-carboxylate
CID 84786620
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 66127163
[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 106690304
[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
CID 106829194
[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
CID 65038302
[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine
CID 65038016
[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide
CID 96677688

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid (CID 84786621) is 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid is CCn1c(C(=O)O)nc2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid?
The InChIKey is QHMFVXBECABBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-14-9-4-3-7(6-12)5-8(9)13-10(14)11(15)16/h3-5H,2,6,12H2,1H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid?
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 84786621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).