6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

C11H10ClN5O — CID 106406239

IUPAC6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1CCc1ncon1
InChIInChI=1S/C11H10ClN5O/c12-7-1-2-8-9(5-7)17(11(13)15-8)4-3-10-14-6-18-16-10/h1-2,5-6H,3-4H2,(H2,13,15)
InChIKeyUYORBYVNVUBLPO-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.90
Rot. Bonds3

About 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406239) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID106406239
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1CCc1ncon1
InChIInChI=1S/C11H10ClN5O/c12-7-1-2-8-9(5-7)17(11(13)15-8)4-3-10-14-6-18-16-10/h1-2,5-6H,3-4H2,(H2,13,15)
InChIKeyUYORBYVNVUBLPO-UHFFFAOYSA-N
XLogP1.90
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (CID 106406239) is 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1CCc1ncon1.
What is the InChIKey of 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is UYORBYVNVUBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-7-1-2-8-9(5-7)17(11(13)15-8)4-3-10-14-6-18-16-10/h1-2,5-6H,3-4H2,(H2,13,15).
What are the key properties of 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 263.69 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).