N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine

C14H17BrFN3 — CID 82970925

IUPACN-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2ccc(Br)cc2F)[nH]1
InChIInChI=1S/C14H17BrFN3/c1-3-9(2)17-8-14-18-7-13(19-14)11-5-4-10(15)6-12(11)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyJRZCJSOQCGZBEK-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.87
Rot. Bonds5

About N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine

N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine (PubChem CID 82970925) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
PubChem CID82970925
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2ccc(Br)cc2F)[nH]1
InChIInChI=1S/C14H17BrFN3/c1-3-9(2)17-8-14-18-7-13(19-14)11-5-4-10(15)6-12(11)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyJRZCJSOQCGZBEK-UHFFFAOYSA-N
XLogP3.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 62795802
N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 82779512
N-[[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60852316
N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 54925298
N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 114910432
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60854851
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291425
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
CID 111449262

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine (CID 82970925) is N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine is CCC(C)NCc1ncc(-c2ccc(Br)cc2F)[nH]1.
What is the InChIKey of N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The InChIKey is JRZCJSOQCGZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-9(2)17-8-14-18-7-13(19-14)11-5-4-10(15)6-12(11)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19).
What are the key properties of N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 82970925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).