3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile

C16H15F2N3O — CID 139329571

IUPAC3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile
SMILESN#Cc1cncn1CC(O)(Cc1ccccc1F)C1(F)CC1
InChIInChI=1S/C16H15F2N3O/c17-14-4-2-1-3-12(14)7-16(22,15(18)5-6-15)10-21-11-20-9-13(21)8-19/h1-4,9,11,22H,5-7,10H2
InChIKeyZYFPVVJJTCUHDE-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.37
Rot. Bonds5

About 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile

3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile (PubChem CID 139329571) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile
PubChem CID139329571
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile
SMILESN#Cc1cncn1CC(O)(Cc1ccccc1F)C1(F)CC1
InChIInChI=1S/C16H15F2N3O/c17-14-4-2-1-3-12(14)7-16(22,15(18)5-6-15)10-21-11-20-9-13(21)8-19/h1-4,9,11,22H,5-7,10H2
InChIKeyZYFPVVJJTCUHDE-UHFFFAOYSA-N
XLogP2.37
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile?
The IUPAC name of 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile (CID 139329571) is 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile.
What is the SMILES notation for 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile?
The canonical SMILES for 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile is N#Cc1cncn1CC(O)(Cc1ccccc1F)C1(F)CC1.
What is the InChIKey of 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile?
The InChIKey is ZYFPVVJJTCUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-14-4-2-1-3-12(14)7-16(22,15(18)5-6-15)10-21-11-20-9-13(21)8-19/h1-4,9,11,22H,5-7,10H2.
What are the key properties of 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile?
3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile has a molecular weight of 303.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-fluorocyclopropyl)-3-(2-fluorophenyl)-2-hydroxypropyl]imidazole-4-carbonitrile is sourced from PubChem (CID 139329571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).