2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile

C32H27N7 — CID 68753404

About 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile

2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 68753404) has the molecular formula C32H27N7 and a molecular weight of 509.62 g/mol. Its IUPAC name is 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile
• PubChem CID: 68753404
• Molecular Formula: C32H27N7
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.23
• IUPAC Name: 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile
• SMILES: N#Cc1ccc2nc(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1
• InChI: InChI=1S/C32H27N7/c33-19-23-8-11-28-29(18-23)36-31(35-28)26-12-15-38(16-13-26)20-22-6-9-25(10-7-22)30-27(24-4-2-1-3-5-24)21-39-17-14-34-32(39)37-30/h1-11,14,17-18,21,26H,12-13,15-16,20H2,(H,35,36)
• InChIKey: AXOCXHFESJZPDU-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 85.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile?

The IUPAC name of 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile (CID 68753404) is 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile.

What is the SMILES notation for 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile?

The canonical SMILES for 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1.

What is the InChIKey of 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile?

The InChIKey is AXOCXHFESJZPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N7/c33-19-23-8-11-28-29(18-23)36-31(35-28)26-12-15-38(16-13-26)20-22-6-9-25(10-7-22)30-27(24-4-2-1-3-5-24)21-39-17-14-34-32(39)37-30/h1-11,14,17-18,21,26H,12-13,15-16,20H2,(H,35,36).

What are the key properties of 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile?

2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 509.62 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[4-(6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]methyl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 68753404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).