N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine

C10H8BrF2N3 — CID 106561368

IUPACN-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine
SMILESCn1ccnc1Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H8BrF2N3/c1-16-3-2-14-10(16)15-9-7(11)4-6(12)5-8(9)13/h2-5H,1H3,(H,14,15)
InChIKeyDURPETVUCXEJFK-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.20
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine

N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine (PubChem CID 106561368) has the molecular formula C10H8BrF2N3 and a molecular weight of 288.10 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine
PubChem CID106561368
Molecular FormulaC10H8BrF2N3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine
SMILESCn1ccnc1Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H8BrF2N3/c1-16-3-2-14-10(16)15-9-7(11)4-6(12)5-8(9)13/h2-5H,1H3,(H,14,15)
InChIKeyDURPETVUCXEJFK-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
CID 106574267
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine
CID 106561364
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-(3-fluoro-5-methylphenyl)-1-methylimidazol-2-amine
CID 106576252
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(2-chloro-6-fluorophenyl)-1-methylimidazol-2-amine
CID 106582347
2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 55153464
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
CID 106573027
2-(2-bromo-4-fluorophenyl)-1-methylimidazole
CID 141359044
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine (CID 106561368) is N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine is Cn1ccnc1Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine?
The InChIKey is DURPETVUCXEJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3/c1-16-3-2-14-10(16)15-9-7(11)4-6(12)5-8(9)13/h2-5H,1H3,(H,14,15).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine?
N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine has a molecular weight of 288.10 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 106561368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).