1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine

C14H10F3N3O — CID 62507837

IUPAC1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-11-4-2-10(3-5-11)20-8-19-12-7-9(18)1-6-13(12)20/h1-8H,18H2
InChIKeyJFKLBMLDSRCOIZ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.51
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine

1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine (PubChem CID 62507837) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
PubChem CID62507837
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-11-4-2-10(3-5-11)20-8-19-12-7-9(18)1-6-13(12)20/h1-8H,18H2
InChIKeyJFKLBMLDSRCOIZ-UHFFFAOYSA-N
XLogP3.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine (CID 62507837) is 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine is Nc1ccc2c(c1)ncn2-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine?
The InChIKey is JFKLBMLDSRCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)21-11-4-2-10(3-5-11)20-8-19-12-7-9(18)1-6-13(12)20/h1-8H,18H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine?
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine has a molecular weight of 293.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine is sourced from PubChem (CID 62507837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).