1-(2,3,5-trifluorophenyl)benzimidazol-5-amine

C13H8F3N3 — CID 55119374

IUPAC1-(2,3,5-trifluorophenyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1cc(F)cc(F)c1F
InChIInChI=1S/C13H8F3N3/c14-7-3-9(15)13(16)12(4-7)19-6-18-10-5-8(17)1-2-11(10)19/h1-6H,17H2
InChIKeyXILFARBYGUVEQI-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.03
Rot. Bonds1

About 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine

1-(2,3,5-trifluorophenyl)benzimidazol-5-amine (PubChem CID 55119374) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,3,5-trifluorophenyl)benzimidazol-5-amine
PubChem CID55119374
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name1-(2,3,5-trifluorophenyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1cc(F)cc(F)c1F
InChIInChI=1S/C13H8F3N3/c14-7-3-9(15)13(16)12(4-7)19-6-18-10-5-8(17)1-2-11(10)19/h1-6H,17H2
InChIKeyXILFARBYGUVEQI-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine?
The IUPAC name of 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine (CID 55119374) is 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine?
The canonical SMILES for 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine is Nc1ccc2c(c1)ncn2-c1cc(F)cc(F)c1F.
What is the InChIKey of 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine?
The InChIKey is XILFARBYGUVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-7-3-9(15)13(16)12(4-7)19-6-18-10-5-8(17)1-2-11(10)19/h1-6H,17H2.
What are the key properties of 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine?
1-(2,3,5-trifluorophenyl)benzimidazol-5-amine has a molecular weight of 263.22 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trifluorophenyl)benzimidazol-5-amine is sourced from PubChem (CID 55119374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).