5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine

C13H15BrFN3 — CID 114078062

IUPAC5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2cc(F)ccc2Br)c(N)n1CC
InChIInChI=1S/C13H15BrFN3/c1-3-11-17-12(13(16)18(11)4-2)9-7-8(15)5-6-10(9)14/h5-7H,3-4,16H2,1-2H3
InChIKeyBDZPIQGCMCQDPG-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.62
Rot. Bonds3

About 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine

5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine (PubChem CID 114078062) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine
PubChem CID114078062
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2cc(F)ccc2Br)c(N)n1CC
InChIInChI=1S/C13H15BrFN3/c1-3-11-17-12(13(16)18(11)4-2)9-7-8(15)5-6-10(9)14/h5-7H,3-4,16H2,1-2H3
InChIKeyBDZPIQGCMCQDPG-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62226570
5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 114060782
5-(2-bromo-5-chlorophenyl)-3-ethyl-2-propylimidazol-4-amine
CID 66159140
5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
CID 55049007
5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580
2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
2,3-diethyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
CID 113457242
2,3-diethyl-5-naphthalen-2-ylimidazol-4-amine
CID 62225265
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 55048354
4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine
CID 62507095
5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 55048064
3-butyl-2-ethyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62219729

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine (CID 114078062) is 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine is CCc1nc(-c2cc(F)ccc2Br)c(N)n1CC.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine?
The InChIKey is BDZPIQGCMCQDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-3-11-17-12(13(16)18(11)4-2)9-7-8(15)5-6-10(9)14/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine?
5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine has a molecular weight of 312.19 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine is sourced from PubChem (CID 114078062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).