1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

C14H17BrFN3 — CID 82970486

IUPAC1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ncc(-c2cc(Br)ccc2F)[nH]1
InChIInChI=1S/C14H17BrFN3/c1-8(2)5-12(17)14-18-7-13(19-14)10-6-9(15)3-4-11(10)16/h3-4,6-8,12H,5,17H2,1-2H3,(H,18,19)
InChIKeyONSBIPUXELMSQW-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.02
Rot. Bonds4

About 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 82970486) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID82970486
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ncc(-c2cc(Br)ccc2F)[nH]1
InChIInChI=1S/C14H17BrFN3/c1-8(2)5-12(17)14-18-7-13(19-14)10-6-9(15)3-4-11(10)16/h3-4,6-8,12H,5,17H2,1-2H3,(H,18,19)
InChIKeyONSBIPUXELMSQW-UHFFFAOYSA-N
XLogP4.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 82970486) is 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1ncc(-c2cc(Br)ccc2F)[nH]1.
What is the InChIKey of 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is ONSBIPUXELMSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-8(2)5-12(17)14-18-7-13(19-14)10-6-9(15)3-4-11(10)16/h3-4,6-8,12H,5,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 82970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).