2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol

C12H17N3O2 — CID 62499134

IUPAC2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
SMILESCc1nc2cc(N)ccc2n1CCOCCO
InChIInChI=1S/C12H17N3O2/c1-9-14-11-8-10(13)2-3-12(11)15(9)4-6-17-7-5-16/h2-3,8,16H,4-7,13H2,1H3
InChIKeyVLAOQPBAGSIHAE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol

2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol (PubChem CID 62499134) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
PubChem CID62499134
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
SMILESCc1nc2cc(N)ccc2n1CCOCCO
InChIInChI=1S/C12H17N3O2/c1-9-14-11-8-10(13)2-3-12(11)15(9)4-6-17-7-5-16/h2-3,8,16H,4-7,13H2,1H3
InChIKeyVLAOQPBAGSIHAE-UHFFFAOYSA-N
XLogP0.94
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol (CID 62499134) is 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol is Cc1nc2cc(N)ccc2n1CCOCCO.
What is the InChIKey of 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol?
The InChIKey is VLAOQPBAGSIHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-14-11-8-10(13)2-3-12(11)15(9)4-6-17-7-5-16/h2-3,8,16H,4-7,13H2,1H3.
What are the key properties of 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol?
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 62499134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).