2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane

C16H18FN3 — CID 115996235

IUPAC2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane
SMILESCc1[nH]c(C2CC3CCC2N3)nc1-c1ccccc1F
InChIInChI=1S/C16H18FN3/c1-9-15(11-4-2-3-5-13(11)17)20-16(18-9)12-8-10-6-7-14(12)19-10/h2-5,10,12,14,19H,6-8H2,1H3,(H,18,20)
InChIKeyNAYHVKQDAZRDGS-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.13
Rot. Bonds2

About 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane

2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane (PubChem CID 115996235) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane
PubChem CID115996235
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane
SMILESCc1[nH]c(C2CC3CCC2N3)nc1-c1ccccc1F
InChIInChI=1S/C16H18FN3/c1-9-15(11-4-2-3-5-13(11)17)20-16(18-9)12-8-10-6-7-14(12)19-10/h2-5,10,12,14,19H,6-8H2,1H3,(H,18,20)
InChIKeyNAYHVKQDAZRDGS-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane (CID 115996235) is 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane is Cc1[nH]c(C2CC3CCC2N3)nc1-c1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is NAYHVKQDAZRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-9-15(11-4-2-3-5-13(11)17)20-16(18-9)12-8-10-6-7-14(12)19-10/h2-5,10,12,14,19H,6-8H2,1H3,(H,18,20).
What are the key properties of 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane?
2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 271.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 115996235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).