N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine

C13H14BrF2N3 — CID 106574076

IUPACN-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2N3/c1-2-3-5-19-6-4-17-13(19)18-12-10(15)7-9(14)8-11(12)16/h4,6-8H,2-3,5H2,1H3,(H,17,18)
InChIKeyNLDSYKAJPBAYIA-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.47
Rot. Bonds5

About N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine

N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine (PubChem CID 106574076) has the molecular formula C13H14BrF2N3 and a molecular weight of 330.18 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
PubChem CID106574076
Molecular FormulaC13H14BrF2N3
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2N3/c1-2-3-5-19-6-4-17-13(19)18-12-10(15)7-9(14)8-11(12)16/h4,6-8H,2-3,5H2,1H3,(H,17,18)
InChIKeyNLDSYKAJPBAYIA-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574060

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine (CID 106574076) is N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine is CCCCn1ccnc1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine?
The InChIKey is NLDSYKAJPBAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3/c1-2-3-5-19-6-4-17-13(19)18-12-10(15)7-9(14)8-11(12)16/h4,6-8H,2-3,5H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine?
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine has a molecular weight of 330.18 g/mol, XLogP of 4.47, 5 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)-1-butylimidazol-2-amine is sourced from PubChem (CID 106574076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).