4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

C11H10BrF2N3 — CID 65467185

IUPAC4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCc1[nH]cnc1CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H10BrF2N3/c1-6-10(17-5-16-6)4-15-11-8(13)2-7(12)3-9(11)14/h2-3,5,15H,4H2,1H3,(H,16,17)
InChIKeyQIBMYJDGMFRNPL-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.37
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (PubChem CID 65467185) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
PubChem CID65467185
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCc1[nH]cnc1CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H10BrF2N3/c1-6-10(17-5-16-6)4-15-11-8(13)2-7(12)3-9(11)14/h2-3,5,15H,4H2,1H3,(H,16,17)
InChIKeyQIBMYJDGMFRNPL-UHFFFAOYSA-N
XLogP3.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (CID 65467185) is 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is Cc1[nH]cnc1CNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The InChIKey is QIBMYJDGMFRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c1-6-10(17-5-16-6)4-15-11-8(13)2-7(12)3-9(11)14/h2-3,5,15H,4H2,1H3,(H,16,17).
What are the key properties of 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline has a molecular weight of 302.12 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is sourced from PubChem (CID 65467185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).