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

C13H18N2O — CID 176701659

IUPAC2-(5-tert-butylbenzimidazol-1-yl)ethanol
SMILESCC(C)(C)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C13H18N2O/c1-13(2,3)10-4-5-12-11(8-10)14-9-15(12)6-7-16/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyPKVQPCQGOZZUCK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds2

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

2-(5-tert-butylbenzimidazol-1-yl)ethanol (PubChem CID 176701659) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-tert-butylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butylbenzimidazol-1-yl)ethanol
PubChem CID176701659
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-tert-butylbenzimidazol-1-yl)ethanol
SMILESCC(C)(C)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C13H18N2O/c1-13(2,3)10-4-5-12-11(8-10)14-9-15(12)6-7-16/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyPKVQPCQGOZZUCK-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(5-tert-butylbenzimidazol-1-yl)ethanol (CID 176701659) is 2-(5-tert-butylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(5-tert-butylbenzimidazol-1-yl)ethanol is CC(C)(C)c1ccc2c(c1)ncn2CCO.
What is the InChIKey of 2-(5-tert-butylbenzimidazol-1-yl)ethanol?
The InChIKey is PKVQPCQGOZZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)10-4-5-12-11(8-10)14-9-15(12)6-7-16/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 2-(5-tert-butylbenzimidazol-1-yl)ethanol?
2-(5-tert-butylbenzimidazol-1-yl)ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 176701659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).