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

C22H22FN3 — CID 22931368

IUPAC4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(C(CC3CC3)C3CC3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C22H22FN3/c23-18-7-5-16(6-8-18)20-21(17-9-11-24-12-10-17)26-22(25-20)19(15-3-4-15)13-14-1-2-14/h5-12,14-15,19H,1-4,13H2,(H,25,26)
InChIKeyLVAKKFLGFCZOFC-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.57
Rot. Bonds6

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

4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 22931368) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID22931368
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(C(CC3CC3)C3CC3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C22H22FN3/c23-18-7-5-16(6-8-18)20-21(17-9-11-24-12-10-17)26-22(25-20)19(15-3-4-15)13-14-1-2-14/h5-12,14-15,19H,1-4,13H2,(H,25,26)
InChIKeyLVAKKFLGFCZOFC-UHFFFAOYSA-N
XLogP5.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol
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2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 22931368) is 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(C(CC3CC3)C3CC3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is LVAKKFLGFCZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3/c23-18-7-5-16(6-8-18)20-21(17-9-11-24-12-10-17)26-22(25-20)19(15-3-4-15)13-14-1-2-14/h5-12,14-15,19H,1-4,13H2,(H,25,26).
What are the key properties of 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 347.44 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-dicyclopropylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 22931368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).