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

C32H29N5 — CID 11260243

IUPAC6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3ncc(C#N)cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C32H29N5/c1-23-35-30-9-5-6-10-31(30)37(23)28-15-17-36(18-16-28)22-24-11-13-27(14-12-24)32-29(19-25(20-33)21-34-32)26-7-3-2-4-8-26/h2-14,19,21,28H,15-18,22H2,1H3
InChIKeyBGGPIZRMKSCDID-UHFFFAOYSA-N
MW483.62 g/mol
LogP6.78
Rot. Bonds5

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

6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 11260243) has the molecular formula C32H29N5 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID11260243
Molecular FormulaC32H29N5
Molecular Weight483.62 g/mol
Exact Mass483.24
IUPAC Name6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3ncc(C#N)cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C32H29N5/c1-23-35-30-9-5-6-10-31(30)37(23)28-15-17-36(18-16-28)22-24-11-13-27(14-12-24)32-29(19-25(20-33)21-34-32)26-7-3-2-4-8-26/h2-14,19,21,28H,15-18,22H2,1H3
InChIKeyBGGPIZRMKSCDID-UHFFFAOYSA-N
XLogP6.78
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-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-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 11260243) is 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3ncc(C#N)cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is BGGPIZRMKSCDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5/c1-23-35-30-9-5-6-10-31(30)37(23)28-15-17-36(18-16-28)22-24-11-13-27(14-12-24)32-29(19-25(20-33)21-34-32)26-7-3-2-4-8-26/h2-14,19,21,28H,15-18,22H2,1H3.
What are the key properties of 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 483.62 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11260243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).