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

C31H27N5 — CID 11374804

IUPAC6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(n4cnc5ccccc54)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H27N5/c32-19-24-18-28(25-6-2-1-3-7-25)31(33-20-24)26-12-10-23(11-13-26)21-35-16-14-27(15-17-35)36-22-34-29-8-4-5-9-30(29)36/h1-13,18,20,22,27H,14-17,21H2
InChIKeySAMGJCKBKBTGPW-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.47
Rot. Bonds5

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

6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 11374804) has the molecular formula C31H27N5 and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID11374804
Molecular FormulaC31H27N5
Molecular Weight469.59 g/mol
Exact Mass469.23
IUPAC Name6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(n4cnc5ccccc54)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H27N5/c32-19-24-18-28(25-6-2-1-3-7-25)31(33-20-24)26-12-10-23(11-13-26)21-35-16-14-27(15-17-35)36-22-34-29-8-4-5-9-30(29)36/h1-13,18,20,22,27H,14-17,21H2
InChIKeySAMGJCKBKBTGPW-UHFFFAOYSA-N
XLogP6.47
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 11374804) is 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is N#Cc1cnc(-c2ccc(CN3CCC(n4cnc5ccccc54)CC3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is SAMGJCKBKBTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5/c32-19-24-18-28(25-6-2-1-3-7-25)31(33-20-24)26-12-10-23(11-13-26)21-35-16-14-27(15-17-35)36-22-34-29-8-4-5-9-30(29)36/h1-13,18,20,22,27H,14-17,21H2.
What are the key properties of 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 469.59 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11374804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).