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

C14H10F3N3O — CID 15604435

IUPACN-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-10-7-5-9(6-8-10)18-13-19-11-3-1-2-4-12(11)20-13/h1-8H,(H2,18,19,20)
InChIKeyPSCVLYRDOWNMOM-UHFFFAOYSA-N
MW293.25 g/mol
LogP4.21
Rot. Bonds3

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

N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine (PubChem CID 15604435) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
PubChem CID15604435
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-10-7-5-9(6-8-10)18-13-19-11-3-1-2-4-12(11)20-13/h1-8H,(H2,18,19,20)
InChIKeyPSCVLYRDOWNMOM-UHFFFAOYSA-N
XLogP4.21
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine (CID 15604435) is N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine is FC(F)(F)Oc1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is PSCVLYRDOWNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)21-10-7-5-9(6-8-10)18-13-19-11-3-1-2-4-12(11)20-13/h1-8H,(H2,18,19,20).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine?
N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 293.25 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 15604435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).