2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid

C11H13N3O2 — CID 82067202

IUPAC2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
SMILESCCc1nc2c(N)cccc2n1CC(=O)O
InChIInChI=1S/C11H13N3O2/c1-2-9-13-11-7(12)4-3-5-8(11)14(9)6-10(15)16/h3-5H,2,6,12H2,1H3,(H,15,16)
InChIKeyMQDIDZORNXQMJG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid

2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid (PubChem CID 82067202) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
PubChem CID82067202
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
SMILESCCc1nc2c(N)cccc2n1CC(=O)O
InChIInChI=1S/C11H13N3O2/c1-2-9-13-11-7(12)4-3-5-8(11)14(9)6-10(15)16/h3-5H,2,6,12H2,1H3,(H,15,16)
InChIKeyMQDIDZORNXQMJG-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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

2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
3-[(4-amino-2-ethylbenzimidazol-1-yl)methyl]benzoic acid
CID 82067236
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
CID 93215409
2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate
CID 82067218

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid (CID 82067202) is 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid is CCc1nc2c(N)cccc2n1CC(=O)O.
What is the InChIKey of 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid?
The InChIKey is MQDIDZORNXQMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-9-13-11-7(12)4-3-5-8(11)14(9)6-10(15)16/h3-5H,2,6,12H2,1H3,(H,15,16).
What are the key properties of 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid?
2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 82067202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).