5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

C15H15BrFN3 — CID 81441852

IUPAC5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C15H15BrFN3/c1-3-5-13-19-14(15(18)20(13)8-4-2)10-6-7-11(16)12(17)9-10/h2,6-7,9H,3,5,8,18H2,1H3
InChIKeyMVLPAIWHUHLIFS-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.62
Rot. Bonds4

About 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 81441852) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
PubChem CID81441852
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C15H15BrFN3/c1-3-5-13-19-14(15(18)20(13)8-4-2)10-6-7-11(16)12(17)9-10/h2,6-7,9H,3,5,8,18H2,1H3
InChIKeyMVLPAIWHUHLIFS-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 657827
5-(3-Bromophenyl)-1-octylimidazol-2-amine
CID 50941073
3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 4079297
4-phenyl-1-(prop-2-yn-1-yl)-1H-imidazol-5-amine
CID 47002775
4-bromo-1-methyl-5-phenyl-1H-imidazole
CID 25172551
5-(4-bromophenyl)-1-ethyl-1H-imidazol-2-amine
CID 6917234
1-Benzyl-5-(4-bromophenyl)imidazol-2-amine
CID 45156677
5-(4-Bromophenyl)-1-butylimidazol-2-amine
CID 53316781
1-[2-[2-(3-Bromo-4-fluorophenyl)-4,5-dimethylimidazol-1-yl]ethyl]piperazine
CID 156009886
2-(4-Bromophenyl)-1-[(4-fluorophenyl)methyl]-4,5-diphenylimidazole
CID 178299272
5-(4-bromophenyl)-N-(4-fluorobenzyl)-1-methyl-1H-imidazol-2-amine
CID 4539895
4-(4-bromophenyl)-1-methyl-1H-imidazol-5-amine
CID 53275816

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (CID 81441852) is 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CCC)nc(-c2ccc(Br)c(F)c2)c1N.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is MVLPAIWHUHLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c1-3-5-13-19-14(15(18)20(13)8-4-2)10-6-7-11(16)12(17)9-10/h2,6-7,9H,3,5,8,18H2,1H3.
What are the key properties of 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 336.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 81441852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).