1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine

C12H13BrFN3 — CID 107628425

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1-c1cc(F)ccc1Br
InChIInChI=1S/C12H13BrFN3/c1-3-15-12-16-8(2)7-17(12)11-6-9(14)4-5-10(11)13/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUPGWTKGVVPVCTB-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.51
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine

1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine (PubChem CID 107628425) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
PubChem CID107628425
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1-c1cc(F)ccc1Br
InChIInChI=1S/C12H13BrFN3/c1-3-15-12-16-8(2)7-17(12)11-6-9(14)4-5-10(11)13/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUPGWTKGVVPVCTB-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
1-(2,5-dibromophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566394
1-(2-bromo-5-chlorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106577963
1-(2,5-dibromophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106566380
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
N-ethyl-1-(4-methoxy-2-methylphenyl)-4-methylimidazol-2-amine
CID 106570507
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine (CID 107628425) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine is CCNc1nc(C)cn1-c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine?
The InChIKey is UPGWTKGVVPVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-3-15-12-16-8(2)7-17(12)11-6-9(14)4-5-10(11)13/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine has a molecular weight of 298.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 107628425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).