2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

C27H22N4O — CID 112833070

About 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 112833070) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
• PubChem CID: 112833070
• Molecular Formula: C27H22N4O
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.18
• IUPAC Name: 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
• SMILES: N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1
• InChI: InChI=1S/C27H22N4O/c28-17-20-7-1-2-9-23(20)24-10-3-4-11-25(24)27(32)30-21-14-12-19(13-15-21)26-29-18-22-8-5-6-16-31(22)26/h1-4,7,9-15,18H,5-6,8,16H2,(H,30,32)
• InChIKey: KQMUAJPNRYJZRY-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 70.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The IUPAC name of 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (CID 112833070) is 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

What is the SMILES notation for 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The canonical SMILES for 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1.

What is the InChIKey of 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The InChIKey is KQMUAJPNRYJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c28-17-20-7-1-2-9-23(20)24-10-3-4-11-25(24)27(32)30-21-14-12-19(13-15-21)26-29-18-22-8-5-6-16-31(22)26/h1-4,7,9-15,18H,5-6,8,16H2,(H,30,32).

What are the key properties of 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 112833070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).