6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile

C27H20F4N4O2 — CID 67429336

IUPAC6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-n2c(C=Cc3cccc(OC(F)F)c3OC3CCCC3)nc3cc(F)c(F)cc32)nc1
InChIInChI=1S/C27H20F4N4O2/c28-19-12-21-22(13-20(19)29)35(24-10-8-16(14-32)15-33-24)25(34-21)11-9-17-4-3-7-23(37-27(30)31)26(17)36-18-5-1-2-6-18/h3-4,7-13,15,18,27H,1-2,5-6H2
InChIKeyYJOXCGWYBCBKGE-UHFFFAOYSA-N
MW508.48 g/mol
LogP6.66
Rot. Bonds7

About 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile

6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile (PubChem CID 67429336) has the molecular formula C27H20F4N4O2 and a molecular weight of 508.48 g/mol. Its IUPAC name is 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile
PubChem CID67429336
Molecular FormulaC27H20F4N4O2
Molecular Weight508.48 g/mol
Exact Mass508.15
IUPAC Name6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-n2c(C=Cc3cccc(OC(F)F)c3OC3CCCC3)nc3cc(F)c(F)cc32)nc1
InChIInChI=1S/C27H20F4N4O2/c28-19-12-21-22(13-20(19)29)35(24-10-8-16(14-32)15-33-24)25(34-21)11-9-17-4-3-7-23(37-27(30)31)26(17)36-18-5-1-2-6-18/h3-4,7-13,15,18,27H,1-2,5-6H2
InChIKeyYJOXCGWYBCBKGE-UHFFFAOYSA-N
XLogP6.66
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.48
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile (CID 67429336) is 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(-n2c(C=Cc3cccc(OC(F)F)c3OC3CCCC3)nc3cc(F)c(F)cc32)nc1.
What is the InChIKey of 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is YJOXCGWYBCBKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N4O2/c28-19-12-21-22(13-20(19)29)35(24-10-8-16(14-32)15-33-24)25(34-21)11-9-17-4-3-7-23(37-27(30)31)26(17)36-18-5-1-2-6-18/h3-4,7-13,15,18,27H,1-2,5-6H2.
What are the key properties of 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile?
6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 508.48 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-5,6-difluorobenzimidazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 67429336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).