2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol

C13H19N3O — CID 62493612

IUPAC2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
SMILESCC(C)(C)c1nc2cc(N)ccc2n1CCO
InChIInChI=1S/C13H19N3O/c1-13(2,3)12-15-10-8-9(14)4-5-11(10)16(12)6-7-17/h4-5,8,17H,6-7,14H2,1-3H3
InChIKeyOSIVOHVZJSMHOR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds2

About 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol

2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol (PubChem CID 62493612) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
PubChem CID62493612
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
SMILESCC(C)(C)c1nc2cc(N)ccc2n1CCO
InChIInChI=1S/C13H19N3O/c1-13(2,3)12-15-10-8-9(14)4-5-11(10)16(12)6-7-17/h4-5,8,17H,6-7,14H2,1-3H3
InChIKeyOSIVOHVZJSMHOR-UHFFFAOYSA-N
XLogP1.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol (CID 62493612) is 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol is CC(C)(C)c1nc2cc(N)ccc2n1CCO.
What is the InChIKey of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol?
The InChIKey is OSIVOHVZJSMHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)12-15-10-8-9(14)4-5-11(10)16(12)6-7-17/h4-5,8,17H,6-7,14H2,1-3H3.
What are the key properties of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol?
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 62493612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).