4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine

C14H9F4N3O — CID 137446899

IUPAC4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
SMILESFc1cccc2[nH]c(Nc3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C14H9F4N3O/c15-10-2-1-3-11-12(10)21-13(20-11)19-8-4-6-9(7-5-8)22-14(16,17)18/h1-7H,(H2,19,20,21)
InChIKeyPIWWKNXYMGDRNH-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.34
Rot. Bonds3

About 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine

4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine (PubChem CID 137446899) has the molecular formula C14H9F4N3O and a molecular weight of 311.24 g/mol. Its IUPAC name is 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
PubChem CID137446899
Molecular FormulaC14H9F4N3O
Molecular Weight311.24 g/mol
Exact Mass311.07
IUPAC Name4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
SMILESFc1cccc2[nH]c(Nc3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C14H9F4N3O/c15-10-2-1-3-11-12(10)21-13(20-11)19-8-4-6-9(7-5-8)22-14(16,17)18/h1-7H,(H2,19,20,21)
InChIKeyPIWWKNXYMGDRNH-UHFFFAOYSA-N
XLogP4.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine (CID 137446899) is 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine is Fc1cccc2[nH]c(Nc3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is PIWWKNXYMGDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3O/c15-10-2-1-3-11-12(10)21-13(20-11)19-8-4-6-9(7-5-8)22-14(16,17)18/h1-7H,(H2,19,20,21).
What are the key properties of 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 311.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 137446899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).