3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile

C17H13F2N3O2 — CID 146315734

IUPAC3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile
SMILESN#Cc1cncn1CC(O)(Cc1ccc(F)cc1F)c1ccco1
InChIInChI=1S/C17H13F2N3O2/c18-13-4-3-12(15(19)6-13)7-17(23,16-2-1-5-24-16)10-22-11-21-9-14(22)8-20/h1-6,9,11,23H,7,10H2
InChIKeySLKYNCZRCZISIU-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.76
Rot. Bonds5

About 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile

3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile (PubChem CID 146315734) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile
PubChem CID146315734
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile
SMILESN#Cc1cncn1CC(O)(Cc1ccc(F)cc1F)c1ccco1
InChIInChI=1S/C17H13F2N3O2/c18-13-4-3-12(15(19)6-13)7-17(23,16-2-1-5-24-16)10-22-11-21-9-14(22)8-20/h1-6,9,11,23H,7,10H2
InChIKeySLKYNCZRCZISIU-UHFFFAOYSA-N
XLogP2.76
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile?
The IUPAC name of 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile (CID 146315734) is 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile.
What is the SMILES notation for 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile?
The canonical SMILES for 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile is N#Cc1cncn1CC(O)(Cc1ccc(F)cc1F)c1ccco1.
What is the InChIKey of 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile?
The InChIKey is SLKYNCZRCZISIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-13-4-3-12(15(19)6-13)7-17(23,16-2-1-5-24-16)10-22-11-21-9-14(22)8-20/h1-6,9,11,23H,7,10H2.
What are the key properties of 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile?
3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile has a molecular weight of 329.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-difluorophenyl)-2-(furan-2-yl)-2-hydroxypropyl]imidazole-4-carbonitrile is sourced from PubChem (CID 146315734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).