1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine

C15H16F3N3 — CID 115502118

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine
SMILESNc1nc2cc(C(F)(F)F)ccc2n1C1CC2CCC1C2
InChIInChI=1S/C15H16F3N3/c16-15(17,18)10-3-4-12-11(7-10)20-14(19)21(12)13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H2,19,20)
InChIKeyURLYWBXJTNZMEM-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.00
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115502118) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115502118
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine
SMILESNc1nc2cc(C(F)(F)F)ccc2n1C1CC2CCC1C2
InChIInChI=1S/C15H16F3N3/c16-15(17,18)10-3-4-12-11(7-10)20-14(19)21(12)13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H2,19,20)
InChIKeyURLYWBXJTNZMEM-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine (CID 115502118) is 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine is Nc1nc2cc(C(F)(F)F)ccc2n1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is URLYWBXJTNZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)10-3-4-12-11(7-10)20-14(19)21(12)13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H2,19,20).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 295.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115502118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).