5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine

C13H15BrF2N4 — CID 65469299

IUPAC5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCN(C)c1ncc(CNc2c(F)cc(Br)cc2F)n1C
InChIInChI=1S/C13H15BrF2N4/c1-19(2)13-18-7-9(20(13)3)6-17-12-10(15)4-8(14)5-11(12)16/h4-5,7,17H,6H2,1-3H3
InChIKeyBDKDXTVTNGVZLY-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.14
Rot. Bonds4

About 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine

5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine (PubChem CID 65469299) has the molecular formula C13H15BrF2N4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
PubChem CID65469299
Molecular FormulaC13H15BrF2N4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCN(C)c1ncc(CNc2c(F)cc(Br)cc2F)n1C
InChIInChI=1S/C13H15BrF2N4/c1-19(2)13-18-7-9(20(13)3)6-17-12-10(15)4-8(14)5-11(12)16/h4-5,7,17H,6H2,1-3H3
InChIKeyBDKDXTVTNGVZLY-UHFFFAOYSA-N
XLogP3.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-fluorophenol
CID 64795010
5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82761508
5-[(2-fluoro-6-nitroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 81306051
N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine
CID 106327910
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 107648497
5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82706507
4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 65469563
4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline
CID 65468507
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
CID 114169123
4-bromo-2,6-difluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 65467186
N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
CID 114615401
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-3-methoxybenzonitrile
CID 104848082

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
The IUPAC name of 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine (CID 65469299) is 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine.
What is the SMILES notation for 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
The canonical SMILES for 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine is CN(C)c1ncc(CNc2c(F)cc(Br)cc2F)n1C.
What is the InChIKey of 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
The InChIKey is BDKDXTVTNGVZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N4/c1-19(2)13-18-7-9(20(13)3)6-17-12-10(15)4-8(14)5-11(12)16/h4-5,7,17H,6H2,1-3H3.
What are the key properties of 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine has a molecular weight of 345.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine is sourced from PubChem (CID 65469299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).