N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine

C12H13BrFN3 — CID 107605154

IUPACN-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1c(F)cccc1Br
InChIInChI=1S/C12H13BrFN3/c1-2-7-17-8-6-15-12(17)16-11-9(13)4-3-5-10(11)14/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyVRAYOCZSFGUGDL-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.94
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine

N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine (PubChem CID 107605154) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
PubChem CID107605154
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC NameN-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1c(F)cccc1Br
InChIInChI=1S/C12H13BrFN3/c1-2-7-17-8-6-15-12(17)16-11-9(13)4-3-5-10(11)14/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyVRAYOCZSFGUGDL-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
CID 107605118
N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(2-chloro-6-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582336
N-(3,5-dimethylphenyl)-1-propylimidazol-2-amine
CID 106559204
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
1-methyl-N-(1-propylimidazol-2-yl)pyrazol-3-amine
CID 106562921

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine (CID 107605154) is N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine is CCCn1ccnc1Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine?
The InChIKey is VRAYOCZSFGUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-2-7-17-8-6-15-12(17)16-11-9(13)4-3-5-10(11)14/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine?
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine has a molecular weight of 298.16 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 107605154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).