N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C10H9BrF3N3O — CID 103193106

IUPACN-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1NC1=NCCN1
InChIInChI=1S/C10H9BrF3N3O/c11-6-1-2-7(17-9-15-3-4-16-9)8(5-6)18-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16,17)
InChIKeyOBNZLZLDEFXGKW-UHFFFAOYSA-N
MW324.10 g/mol
LogP2.72
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 103193106) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID103193106
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1NC1=NCCN1
InChIInChI=1S/C10H9BrF3N3O/c11-6-1-2-7(17-9-15-3-4-16-9)8(5-6)18-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16,17)
InChIKeyOBNZLZLDEFXGKW-UHFFFAOYSA-N
XLogP2.72
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 103193533
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
CID 103192737
4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
CID 103192838
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 103193720
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-5-methylpyrimidine-2,4-diamine
CID 103193719
1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192723
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192731
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyrimidine-2,4-diamine
CID 103193728

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 103193106) is N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)Oc1cc(Br)ccc1NC1=NCCN1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is OBNZLZLDEFXGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c11-6-1-2-7(17-9-15-3-4-16-9)8(5-6)18-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16,17).
What are the key properties of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 324.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 103193106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).