4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

C18H18FN3 — CID 11737996

IUPAC4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C18H18FN3/c1-18(2,3)17-21-15(12-4-6-14(19)7-5-12)16(22-17)13-8-10-20-11-9-13/h4-11H,1-3H3,(H,21,22)
InChIKeyRKTINGRJURYERF-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.58
Rot. Bonds2

About 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 11737996) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID11737996
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C18H18FN3/c1-18(2,3)17-21-15(12-4-6-14(19)7-5-12)16(22-17)13-8-10-20-11-9-13/h4-11H,1-3H3,(H,21,22)
InChIKeyRKTINGRJURYERF-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 11737996) is 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is RKTINGRJURYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-18(2,3)17-21-15(12-4-6-14(19)7-5-12)16(22-17)13-8-10-20-11-9-13/h4-11H,1-3H3,(H,21,22).
What are the key properties of 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 295.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 11737996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).