N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine

C14H17BrFN3O — CID 106556965

IUPACN-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFN3O/c1-2-20-9-3-7-19-8-6-17-14(19)18-13-5-4-11(15)10-12(13)16/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18)
InChIKeyWJKRWRTTWKFTIL-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.95
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine

N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106556965) has the molecular formula C14H17BrFN3O and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106556965
Molecular FormulaC14H17BrFN3O
Molecular Weight342.21 g/mol
Exact Mass341.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFN3O/c1-2-20-9-3-7-19-8-6-17-14(19)18-13-5-4-11(15)10-12(13)16/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18)
InChIKeyWJKRWRTTWKFTIL-UHFFFAOYSA-N
XLogP3.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.95
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-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568955
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556806
N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106582285
1-(3-ethoxypropyl)-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570947
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
CID 106575856
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106560302
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine (CID 106556965) is N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine is CCOCCCn1ccnc1Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is WJKRWRTTWKFTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O/c1-2-20-9-3-7-19-8-6-17-14(19)18-13-5-4-11(15)10-12(13)16/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 342.21 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106556965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).