N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine

C13H15BrFN3 — CID 107628372

IUPACN-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFN3/c1-2-3-7-18-8-6-16-13(18)17-12-9-10(15)4-5-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyGLURDOVJBJMILR-UHFFFAOYSA-N
MW312.19 g/mol
LogP4.33
Rot. Bonds5

About N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine

N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine (PubChem CID 107628372) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
PubChem CID107628372
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC NameN-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFN3/c1-2-3-7-18-8-6-16-13(18)17-12-9-10(15)4-5-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyGLURDOVJBJMILR-UHFFFAOYSA-N
XLogP4.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
1-butyl-N-(2-propylphenyl)imidazol-2-amine
CID 106567389
N-(2-bromo-5-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578947
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
CID 107605158

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine (CID 107628372) is N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine is CCCCn1ccnc1Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine?
The InChIKey is GLURDOVJBJMILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-2-3-7-18-8-6-16-13(18)17-12-9-10(15)4-5-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine?
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine is sourced from PubChem (CID 107628372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).