6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile

C31H26FN5 — CID 11431759

IUPAC6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H26FN5/c32-26-10-11-28-29(17-26)36-31(35-28)25-12-14-37(15-13-25)20-21-6-8-24(9-7-21)30-27(16-22(18-33)19-34-30)23-4-2-1-3-5-23/h1-11,16-17,19,25H,12-15,20H2,(H,35,36)
InChIKeyLMOLFVPLNKPSKR-UHFFFAOYSA-N
MW487.58 g/mol
LogP6.68
Rot. Bonds5

About 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile

6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 11431759) has the molecular formula C31H26FN5 and a molecular weight of 487.58 g/mol. Its IUPAC name is 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID11431759
Molecular FormulaC31H26FN5
Molecular Weight487.58 g/mol
Exact Mass487.22
IUPAC Name6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H26FN5/c32-26-10-11-28-29(17-26)36-31(35-28)25-12-14-37(15-13-25)20-21-6-8-24(9-7-21)30-27(16-22(18-33)19-34-30)23-4-2-1-3-5-23/h1-11,16-17,19,25H,12-15,20H2,(H,35,36)
InChIKeyLMOLFVPLNKPSKR-UHFFFAOYSA-N
XLogP6.68
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 11431759) is 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is N#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is LMOLFVPLNKPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5/c32-26-10-11-28-29(17-26)36-31(35-28)25-12-14-37(15-13-25)20-21-6-8-24(9-7-21)30-27(16-22(18-33)19-34-30)23-4-2-1-3-5-23/h1-11,16-17,19,25H,12-15,20H2,(H,35,36).
What are the key properties of 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 487.58 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11431759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).