N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

C14H9F4N3 — CID 15602783

IUPACN-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESFc1c(Nc2nc3ccccc3[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C14H9F4N3/c15-12-8(14(16,17)18)4-3-7-11(12)21-13-19-9-5-1-2-6-10(9)20-13/h1-7H,(H2,19,20,21)
InChIKeyIWQDFOADKFVOHQ-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.46
Rot. Bonds2

About N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 15602783) has the molecular formula C14H9F4N3 and a molecular weight of 295.24 g/mol. Its IUPAC name is N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
PubChem CID15602783
Molecular FormulaC14H9F4N3
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESFc1c(Nc2nc3ccccc3[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C14H9F4N3/c15-12-8(14(16,17)18)4-3-7-11(12)21-13-19-9-5-1-2-6-10(9)20-13/h1-7H,(H2,19,20,21)
InChIKeyIWQDFOADKFVOHQ-UHFFFAOYSA-N
XLogP4.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (CID 15602783) is N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is Fc1c(Nc2nc3ccccc3[nH]2)cccc1C(F)(F)F.
What is the InChIKey of N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is IWQDFOADKFVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3/c15-12-8(14(16,17)18)4-3-7-11(12)21-13-19-9-5-1-2-6-10(9)20-13/h1-7H,(H2,19,20,21).
What are the key properties of N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 295.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 15602783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).