5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole

C17H11ClF3N3O — CID 67498260

IUPAC5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole
SMILESFC(F)(F)CCn1cnc2cc(-c3nc4cc(Cl)ccc4o3)ccc21
InChIInChI=1S/C17H11ClF3N3O/c18-11-2-4-15-13(8-11)23-16(25-15)10-1-3-14-12(7-10)22-9-24(14)6-5-17(19,20)21/h1-4,7-9H,5-6H2
InChIKeyWIWYWNYNVIXFJW-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.45
Rot. Bonds3

About 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole

5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole (PubChem CID 67498260) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole
PubChem CID67498260
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole
SMILESFC(F)(F)CCn1cnc2cc(-c3nc4cc(Cl)ccc4o3)ccc21
InChIInChI=1S/C17H11ClF3N3O/c18-11-2-4-15-13(8-11)23-16(25-15)10-1-3-14-12(7-10)22-9-24(14)6-5-17(19,20)21/h1-4,7-9H,5-6H2
InChIKeyWIWYWNYNVIXFJW-UHFFFAOYSA-N
XLogP5.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole (CID 67498260) is 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole is FC(F)(F)CCn1cnc2cc(-c3nc4cc(Cl)ccc4o3)ccc21.
What is the InChIKey of 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole?
The InChIKey is WIWYWNYNVIXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-11-2-4-15-13(8-11)23-16(25-15)10-1-3-14-12(7-10)22-9-24(14)6-5-17(19,20)21/h1-4,7-9H,5-6H2.
What are the key properties of 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole?
5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole has a molecular weight of 365.74 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 67498260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).