2-chloro-1-cyclobutylbenzimidazol-5-ol

C11H11ClN2O — CID 84788817

IUPAC2-chloro-1-cyclobutylbenzimidazol-5-ol
SMILESOc1ccc2c(c1)nc(Cl)n2C1CCC1
InChIInChI=1S/C11H11ClN2O/c12-11-13-9-6-8(15)4-5-10(9)14(11)7-2-1-3-7/h4-7,15H,1-3H2
InChIKeyVWJGFLZOTIKJEN-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.12
Rot. Bonds1

About 2-chloro-1-cyclobutylbenzimidazol-5-ol

2-chloro-1-cyclobutylbenzimidazol-5-ol (PubChem CID 84788817) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-1-cyclobutylbenzimidazol-5-ol.

Molecular Properties

Compound Name2-chloro-1-cyclobutylbenzimidazol-5-ol
PubChem CID84788817
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-1-cyclobutylbenzimidazol-5-ol
SMILESOc1ccc2c(c1)nc(Cl)n2C1CCC1
InChIInChI=1S/C11H11ClN2O/c12-11-13-9-6-8(15)4-5-10(9)14(11)7-2-1-3-7/h4-7,15H,1-3H2
InChIKeyVWJGFLZOTIKJEN-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclobutylbenzimidazol-5-ol?
The IUPAC name of 2-chloro-1-cyclobutylbenzimidazol-5-ol (CID 84788817) is 2-chloro-1-cyclobutylbenzimidazol-5-ol.
What is the SMILES notation for 2-chloro-1-cyclobutylbenzimidazol-5-ol?
The canonical SMILES for 2-chloro-1-cyclobutylbenzimidazol-5-ol is Oc1ccc2c(c1)nc(Cl)n2C1CCC1.
What is the InChIKey of 2-chloro-1-cyclobutylbenzimidazol-5-ol?
The InChIKey is VWJGFLZOTIKJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-11-13-9-6-8(15)4-5-10(9)14(11)7-2-1-3-7/h4-7,15H,1-3H2.
What are the key properties of 2-chloro-1-cyclobutylbenzimidazol-5-ol?
2-chloro-1-cyclobutylbenzimidazol-5-ol has a molecular weight of 222.68 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclobutylbenzimidazol-5-ol is sourced from PubChem (CID 84788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).