N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine

C15H19BrFN3O — CID 106582285

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C15H19BrFN3O/c1-3-21-8-4-6-20-7-5-18-15(20)19-14-10-13(17)12(16)9-11(14)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyRGYVTXIMQDDGPZ-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.26
Rot. Bonds7

About N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine

N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106582285) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106582285
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C15H19BrFN3O/c1-3-21-8-4-6-20-7-5-18-15(20)19-14-10-13(17)12(16)9-11(14)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyRGYVTXIMQDDGPZ-UHFFFAOYSA-N
XLogP4.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
1-(3-ethoxypropyl)-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570947
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556806
N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568955
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
CID 106575856
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
CID 107608623
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106560302
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2,5-difluoro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583661
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine (CID 106582285) is N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine is CCOCCCn1ccnc1Nc1cc(F)c(Br)cc1C.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is RGYVTXIMQDDGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-3-21-8-4-6-20-7-5-18-15(20)19-14-10-13(17)12(16)9-11(14)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 356.24 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106582285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).