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

C31H27N5 — CID 11454186

IUPAC6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H27N5/c32-19-23-18-27(24-6-2-1-3-7-24)30(33-20-23)25-12-10-22(11-13-25)21-36-16-14-26(15-17-36)31-34-28-8-4-5-9-29(28)35-31/h1-13,18,20,26H,14-17,21H2,(H,34,35)
InChIKeyORBNIMIXUBKTHN-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.54
Rot. Bonds5

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

6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 11454186) has the molecular formula C31H27N5 and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID11454186
Molecular FormulaC31H27N5
Molecular Weight469.59 g/mol
Exact Mass469.23
IUPAC Name6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H27N5/c32-19-23-18-27(24-6-2-1-3-7-24)30(33-20-23)25-12-10-22(11-13-25)21-36-16-14-26(15-17-36)31-34-28-8-4-5-9-29(28)35-31/h1-13,18,20,26H,14-17,21H2,(H,34,35)
InChIKeyORBNIMIXUBKTHN-UHFFFAOYSA-N
XLogP6.54
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 11454186) is 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is N#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is ORBNIMIXUBKTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5/c32-19-23-18-27(24-6-2-1-3-7-24)30(33-20-23)25-12-10-22(11-13-25)21-36-16-14-26(15-17-36)31-34-28-8-4-5-9-29(28)35-31/h1-13,18,20,26H,14-17,21H2,(H,34,35).
What are the key properties of 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 469.59 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11454186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).