N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine

C11H10BrF2N3 — CID 107608623

IUPACN-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H10BrF2N3/c1-2-17-4-3-15-11(17)16-10-6-8(13)7(12)5-9(10)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyDMIYIYRTGIPTBE-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.69
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine

N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine (PubChem CID 107608623) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
PubChem CID107608623
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H10BrF2N3/c1-2-17-4-3-15-11(17)16-10-6-8(13)7(12)5-9(10)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyDMIYIYRTGIPTBE-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
CID 106555659
N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
CID 114002339
N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106582285
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570738
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296
N-(2,5-difluoro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583661
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106563760
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine (CID 107608623) is N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine is CCn1ccnc1Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine?
The InChIKey is DMIYIYRTGIPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c1-2-17-4-3-15-11(17)16-10-6-8(13)7(12)5-9(10)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine?
N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine has a molecular weight of 302.12 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 107608623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).