5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine

C12H9ClFN3O — CID 66076737

IUPAC5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1ccco1
InChIInChI=1S/C12H9ClFN3O/c13-8-4-10-11(5-9(8)14)17(12(15)16-10)6-7-2-1-3-18-7/h1-5H,6H2,(H2,15,16)
InChIKeyFRDCEIMDIYOVFE-UHFFFAOYSA-N
MW265.68 g/mol
LogP3.05
Rot. Bonds2

About 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine (PubChem CID 66076737) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
PubChem CID66076737
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1ccco1
InChIInChI=1S/C12H9ClFN3O/c13-8-4-10-11(5-9(8)14)17(12(15)16-10)6-7-2-1-3-18-7/h1-5H,6H2,(H2,15,16)
InChIKeyFRDCEIMDIYOVFE-UHFFFAOYSA-N
XLogP3.05
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine (CID 66076737) is 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1Cc1ccco1.
What is the InChIKey of 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is FRDCEIMDIYOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-8-4-10-11(5-9(8)14)17(12(15)16-10)6-7-2-1-3-18-7/h1-5H,6H2,(H2,15,16).
What are the key properties of 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 265.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 66076737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).