N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C14H16BrF2N3 — CID 106574063

IUPACN-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C14H16BrF2N3/c1-8(2)6-20-7-9(3)18-14(20)19-13-11(16)4-10(15)5-12(13)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyIBGJRVAYOSPMOF-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.63
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106574063) has the molecular formula C14H16BrF2N3 and a molecular weight of 344.20 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106574063
Molecular FormulaC14H16BrF2N3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C14H16BrF2N3/c1-8(2)6-20-7-9(3)18-14(20)19-13-11(16)4-10(15)5-12(13)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyIBGJRVAYOSPMOF-UHFFFAOYSA-N
XLogP4.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106574063) is N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2c(F)cc(Br)cc2F)n1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is IBGJRVAYOSPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3/c1-8(2)6-20-7-9(3)18-14(20)19-13-11(16)4-10(15)5-12(13)17/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 344.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106574063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).