1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine

C13H12F3N3O — CID 106557392

IUPAC1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nccn2C2CC2)cc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)20-11-5-1-9(2-6-11)18-12-17-7-8-19(12)10-3-4-10/h1-2,5-8,10H,3-4H2,(H,17,18)
InChIKeyXYOWWJPUIFIUDC-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.86
Rot. Bonds4

About 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine

1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine (PubChem CID 106557392) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
PubChem CID106557392
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nccn2C2CC2)cc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)20-11-5-1-9(2-6-11)18-12-17-7-8-19(12)10-3-4-10/h1-2,5-8,10H,3-4H2,(H,17,18)
InChIKeyXYOWWJPUIFIUDC-UHFFFAOYSA-N
XLogP3.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine (CID 106557392) is 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine is FC(F)(F)Oc1ccc(Nc2nccn2C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine?
The InChIKey is XYOWWJPUIFIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)20-11-5-1-9(2-6-11)18-12-17-7-8-19(12)10-3-4-10/h1-2,5-8,10H,3-4H2,(H,17,18).
What are the key properties of 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine?
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine has a molecular weight of 283.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine is sourced from PubChem (CID 106557392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).