4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline

C11H8BrCl2F2N3 — CID 43325979

IUPAC4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
SMILESFC(F)n1ccnc1CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2F2N3/c12-6-3-7(13)10(8(14)4-6)18-5-9-17-1-2-19(9)11(15)16/h1-4,11,18H,5H2
InChIKeyUQYDNKFCJQHYKB-UHFFFAOYSA-N
MW371.01 g/mol
LogP4.96
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline

4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline (PubChem CID 43325979) has the molecular formula C11H8BrCl2F2N3 and a molecular weight of 371.01 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
PubChem CID43325979
Molecular FormulaC11H8BrCl2F2N3
Molecular Weight371.01 g/mol
Exact Mass368.92
IUPAC Name4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
SMILESFC(F)n1ccnc1CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2F2N3/c12-6-3-7(13)10(8(14)4-6)18-5-9-17-1-2-19(9)11(15)16/h1-4,11,18H,5H2
InChIKeyUQYDNKFCJQHYKB-UHFFFAOYSA-N
XLogP4.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.01
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline (CID 43325979) is 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline is FC(F)n1ccnc1CNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
The InChIKey is UQYDNKFCJQHYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2F2N3/c12-6-3-7(13)10(8(14)4-6)18-5-9-17-1-2-19(9)11(15)16/h1-4,11,18H,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline has a molecular weight of 371.01 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 43325979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).