N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C10H8Br2F3N3 — CID 23275016

IUPACN-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cc(Br)cc(Br)c1NC1=NCCN1
InChIInChI=1S/C10H8Br2F3N3/c11-5-3-6(10(13,14)15)8(7(12)4-5)18-9-16-1-2-17-9/h3-4H,1-2H2,(H2,16,17,18)
InChIKeyXVKIWKUBZBAGIX-UHFFFAOYSA-N
MW387.00 g/mol
LogP3.60
Rot. Bonds1

About N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 23275016) has the molecular formula C10H8Br2F3N3 and a molecular weight of 387.00 g/mol. Its IUPAC name is N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID23275016
Molecular FormulaC10H8Br2F3N3
Molecular Weight387.00 g/mol
Exact Mass384.90
IUPAC NameN-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cc(Br)cc(Br)c1NC1=NCCN1
InChIInChI=1S/C10H8Br2F3N3/c11-5-3-6(10(13,14)15)8(7(12)4-5)18-9-16-1-2-17-9/h3-4H,1-2H2,(H2,16,17,18)
InChIKeyXVKIWKUBZBAGIX-UHFFFAOYSA-N
XLogP3.60
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.00
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 23275016) is N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)c1cc(Br)cc(Br)c1NC1=NCCN1.
What is the InChIKey of N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XVKIWKUBZBAGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F3N3/c11-5-3-6(10(13,14)15)8(7(12)4-5)18-9-16-1-2-17-9/h3-4H,1-2H2,(H2,16,17,18).
What are the key properties of N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 387.00 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 23275016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).