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

C32H29N5 — CID 11225451

IUPAC6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C32H29N5/c1-22-7-12-29-30(17-22)36-32(35-29)27-13-15-37(16-14-27)21-23-8-10-26(11-9-23)31-28(18-24(19-33)20-34-31)25-5-3-2-4-6-25/h2-12,17-18,20,27H,13-16,21H2,1H3,(H,35,36)
InChIKeyKOJPWIUIKNIADX-UHFFFAOYSA-N
MW483.62 g/mol
LogP6.85
Rot. Bonds5

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

6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 11225451) has the molecular formula C32H29N5 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID11225451
Molecular FormulaC32H29N5
Molecular Weight483.62 g/mol
Exact Mass483.24
IUPAC Name6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C32H29N5/c1-22-7-12-29-30(17-22)36-32(35-29)27-13-15-37(16-14-27)21-23-8-10-26(11-9-23)31-28(18-24(19-33)20-34-31)25-5-3-2-4-6-25/h2-12,17-18,20,27H,13-16,21H2,1H3,(H,35,36)
InChIKeyKOJPWIUIKNIADX-UHFFFAOYSA-N
XLogP6.85
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 56.85
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-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 11225451) is 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is Cc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)[nH]c2c1.
What is the InChIKey of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is KOJPWIUIKNIADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5/c1-22-7-12-29-30(17-22)36-32(35-29)27-13-15-37(16-14-27)21-23-8-10-26(11-9-23)31-28(18-24(19-33)20-34-31)25-5-3-2-4-6-25/h2-12,17-18,20,27H,13-16,21H2,1H3,(H,35,36).
What are the key properties of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 483.62 g/mol, XLogP of 6.85, 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-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11225451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).