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

C17H16FN3 — CID 14849810

IUPAC4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine
SMILESCC(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C17H16FN3/c1-11(2)17-20-15(12-3-5-14(18)6-4-12)16(21-17)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,20,21)
InChIKeyMHAAIGDIAFIDLW-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.40
Rot. Bonds3

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

4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine (PubChem CID 14849810) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine
PubChem CID14849810
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine
SMILESCC(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C17H16FN3/c1-11(2)17-20-15(12-3-5-14(18)6-4-12)16(21-17)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,20,21)
InChIKeyMHAAIGDIAFIDLW-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine (CID 14849810) is 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine is CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
The InChIKey is MHAAIGDIAFIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11(2)17-20-15(12-3-5-14(18)6-4-12)16(21-17)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine has a molecular weight of 281.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 14849810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).