N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

C9H8BrClFN3 — CID 107611250

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(Cl)c(NC2=NCCN2)c(Br)c1
InChIInChI=1S/C9H8BrClFN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
InChIKeyUQNUWSOGDOXMCE-UHFFFAOYSA-N
MW292.54 g/mol
LogP2.61
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 107611250) has the molecular formula C9H8BrClFN3 and a molecular weight of 292.54 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID107611250
Molecular FormulaC9H8BrClFN3
Molecular Weight292.54 g/mol
Exact Mass290.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cc(Cl)c(NC2=NCCN2)c(Br)c1
InChIInChI=1S/C9H8BrClFN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
InChIKeyUQNUWSOGDOXMCE-UHFFFAOYSA-N
XLogP2.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine
CID 139945191
3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 174258723
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid;dihydrate
CID 139056648
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
CID 155256199
N-(2,6-di(18F)fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 46851240
4-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzene-1,3-diamine
CID 139945187
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;bis(2,2,3,3,4,4,4-heptafluorobutanoic acid)
CID 155256122
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylpyridin-4-amine
CID 107617932

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 107611250) is N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine is Fc1cc(Cl)c(NC2=NCCN2)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UQNUWSOGDOXMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 292.54 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 107611250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).