2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline

C11H9Br2F2N3 — CID 107258242

IUPAC2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
SMILESFC(F)n1ccnc1CNc1c(Br)cccc1Br
InChIInChI=1S/C11H9Br2F2N3/c12-7-2-1-3-8(13)10(7)17-6-9-16-4-5-18(9)11(14)15/h1-5,11,17H,6H2
InChIKeyBHOPDJVXBHEZDN-UHFFFAOYSA-N
MW381.02 g/mol
LogP4.42
Rot. Bonds4

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

2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline (PubChem CID 107258242) has the molecular formula C11H9Br2F2N3 and a molecular weight of 381.02 g/mol. Its IUPAC name is 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
PubChem CID107258242
Molecular FormulaC11H9Br2F2N3
Molecular Weight381.02 g/mol
Exact Mass378.91
IUPAC Name2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
SMILESFC(F)n1ccnc1CNc1c(Br)cccc1Br
InChIInChI=1S/C11H9Br2F2N3/c12-7-2-1-3-8(13)10(7)17-6-9-16-4-5-18(9)11(14)15/h1-5,11,17H,6H2
InChIKeyBHOPDJVXBHEZDN-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
4-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-iodoaniline
CID 113253411
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
CID 83078879
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
CID 43112046
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
CID 78978768
5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine
CID 65475634
8-bromo-N-[(1-propan-2-ylimidazol-2-yl)methyl]imidazo[1,2-a]pyridin-3-amine
CID 126842202
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine
CID 115641627
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309106
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
CID 113253408

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline (CID 107258242) is 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline is FC(F)n1ccnc1CNc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
The InChIKey is BHOPDJVXBHEZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2F2N3/c12-7-2-1-3-8(13)10(7)17-6-9-16-4-5-18(9)11(14)15/h1-5,11,17H,6H2.
What are the key properties of 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline?
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline has a molecular weight of 381.02 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 107258242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).