1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine

C13H14BrF2N3O — CID 107608624

IUPAC1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1-c1cc(F)c(Br)cc1F
InChIInChI=1S/C13H14BrF2N3O/c1-8(7-20-2)18-13-17-3-4-19(13)12-6-10(15)9(14)5-11(12)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyWRUMRWMAUJWHOF-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine

1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 107608624) has the molecular formula C13H14BrF2N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID107608624
Molecular FormulaC13H14BrF2N3O
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1-c1cc(F)c(Br)cc1F
InChIInChI=1S/C13H14BrF2N3O/c1-8(7-20-2)18-13-17-3-4-19(13)12-6-10(15)9(14)5-11(12)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyWRUMRWMAUJWHOF-UHFFFAOYSA-N
XLogP3.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106564034
1-(2-ethylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106559461
1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106583189
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylimidazol-2-amine
CID 106565449
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
1-[1-(2-methoxyethyl)pyrazol-4-yl]-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106567619
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(2-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106561052
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
CID 106566372
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine (CID 107608624) is 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)Nc1nccn1-c1cc(F)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is WRUMRWMAUJWHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3O/c1-8(7-20-2)18-13-17-3-4-19(13)12-6-10(15)9(14)5-11(12)16/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 346.18 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 107608624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).