1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine

C15H14ClN3O — CID 761923

IUPAC1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/c16-11-5-7-12(8-6-11)20-10-9-19-14-4-2-1-3-13(14)18-15(19)17/h1-8H,9-10H2,(H2,17,18)
InChIKeyRHYRBJPJWNQOPR-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine

1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine (PubChem CID 761923) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine
PubChem CID761923
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/c16-11-5-7-12(8-6-11)20-10-9-19-14-4-2-1-3-13(14)18-15(19)17/h1-8H,9-10H2,(H2,17,18)
InChIKeyRHYRBJPJWNQOPR-UHFFFAOYSA-N
XLogP3.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine (CID 761923) is 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine is Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine?
The InChIKey is RHYRBJPJWNQOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-11-5-7-12(8-6-11)20-10-9-19-14-4-2-1-3-13(14)18-15(19)17/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine?
1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine has a molecular weight of 287.75 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 761923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).