N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine

C12H11BrF3N3O — CID 106583296

IUPACN-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H11BrF3N3O/c1-2-19-6-5-17-11(19)18-9-4-3-8(13)7-10(9)20-12(14,15)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyFDULOMDPIFMTFM-UHFFFAOYSA-N
MW350.14 g/mol
LogP4.31
Rot. Bonds4

About N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine

N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine (PubChem CID 106583296) has the molecular formula C12H11BrF3N3O and a molecular weight of 350.14 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
PubChem CID106583296
Molecular FormulaC12H11BrF3N3O
Molecular Weight350.14 g/mol
Exact Mass349.00
IUPAC NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H11BrF3N3O/c1-2-19-6-5-17-11(19)18-9-4-3-8(13)7-10(9)20-12(14,15)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyFDULOMDPIFMTFM-UHFFFAOYSA-N
XLogP4.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
CID 106555659
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 103193720
N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
CID 114002339
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
CID 107608623
4-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethoxy)aniline
CID 103193084
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 103193533

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine (CID 106583296) is N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine is CCn1ccnc1Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine?
The InChIKey is FDULOMDPIFMTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3O/c1-2-19-6-5-17-11(19)18-9-4-3-8(13)7-10(9)20-12(14,15)16/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine?
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine has a molecular weight of 350.14 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 106583296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).