N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine

C14H17BrFN3 — CID 62222710

IUPACN-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1Cc1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN3/c1-10(2)18-8-14-17-5-6-19(14)9-11-7-12(15)3-4-13(11)16/h3-7,10,18H,8-9H2,1-2H3
InChIKeySXHQUSHTFNJIKG-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.33
Rot. Bonds5

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

N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62222710) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID62222710
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1Cc1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN3/c1-10(2)18-8-14-17-5-6-19(14)9-11-7-12(15)3-4-13(11)16/h3-7,10,18H,8-9H2,1-2H3
InChIKeySXHQUSHTFNJIKG-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
3-fluoro-4-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62222708
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
2-fluoro-3-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 107119125
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
4-fluoro-3-[[2-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66402493
N-[[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221100
N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403458
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402923
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine (CID 62222710) is N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1Cc1cc(Br)ccc1F.
What is the InChIKey of N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is SXHQUSHTFNJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-10(2)18-8-14-17-5-6-19(14)9-11-7-12(15)3-4-13(11)16/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62222710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).