N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

C14H17BrFN3 — CID 82802315

IUPACN-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2ccc(F)c(Br)c2)[nH]1
InChIInChI=1S/C14H17BrFN3/c1-14(2,3)18-8-10-7-17-13(19-10)9-4-5-12(16)11(15)6-9/h4-7,18H,8H2,1-3H3,(H,17,19)
InChIKeyYWPHYPSIFPEIOU-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.87
Rot. Bonds3

About N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82802315) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID82802315
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2ccc(F)c(Br)c2)[nH]1
InChIInChI=1S/C14H17BrFN3/c1-14(2,3)18-8-10-7-17-13(19-10)9-4-5-12(16)11(15)6-9/h4-7,18H,8H2,1-3H3,(H,17,19)
InChIKeyYWPHYPSIFPEIOU-UHFFFAOYSA-N
XLogP3.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 82802315) is N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(-c2ccc(F)c(Br)c2)[nH]1.
What is the InChIKey of N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YWPHYPSIFPEIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-14(2,3)18-8-10-7-17-13(19-10)9-4-5-12(16)11(15)6-9/h4-7,18H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82802315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).