4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine

C18H16FN3 — CID 174294674

IUPAC4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC1
InChIInChI=1S/C18H16FN3/c1-12-21-17(13-2-4-15(19)5-3-13)18(22(12)16-6-7-16)14-8-10-20-11-9-14/h2-5,8-11,16H,6-7H2,1H3
InChIKeyQURJEFINAJLFRF-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.39
Rot. Bonds3

About 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine

4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine (PubChem CID 174294674) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine
PubChem CID174294674
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC1
InChIInChI=1S/C18H16FN3/c1-12-21-17(13-2-4-15(19)5-3-13)18(22(12)16-6-7-16)14-8-10-20-11-9-14/h2-5,8-11,16H,6-7H2,1H3
InChIKeyQURJEFINAJLFRF-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine?
The IUPAC name of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine (CID 174294674) is 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine is Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC1.
What is the InChIKey of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine?
The InChIKey is QURJEFINAJLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-12-21-17(13-2-4-15(19)5-3-13)18(22(12)16-6-7-16)14-8-10-20-11-9-14/h2-5,8-11,16H,6-7H2,1H3.
What are the key properties of 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine?
4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine has a molecular weight of 293.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine is sourced from PubChem (CID 174294674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).