10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile

C42H25N5 — CID 140932134

About 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile

10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile (PubChem CID 140932134) has the molecular formula C42H25N5 and a molecular weight of 599.70 g/mol. Its IUPAC name is 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile.

Molecular Properties

• Compound Name: 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile
• PubChem CID: 140932134
• Molecular Formula: C42H25N5
• Molecular Weight: 599.70 g/mol
• Exact Mass: 599.21
• IUPAC Name: 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile
• SMILES: N#Cc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1-c1ccn(-c3ccccc3)c1-2
• InChI: InChI=1S/C42H25N5/c43-26-27-18-20-33-35(24-27)30-12-4-5-13-31(30)36-25-29(19-21-32(36)34-22-23-45(41(33)34)28-10-2-1-3-11-28)46-39-16-8-9-17-40(39)47-38-15-7-6-14-37(38)44-42(46)47/h1-25H/b34-32-,35-30-,36-31-,41-33+
• InChIKey: UZEJBKVHNACOSA-OTJUUTQSSA-N
• XLogP: 10.08
• TPSA: 50.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.70
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile?

The IUPAC name of 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile (CID 140932134) is 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile.

What is the SMILES notation for 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile?

The canonical SMILES for 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile is N#Cc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1-c1ccn(-c3ccccc3)c1-2.

What is the InChIKey of 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile?

The InChIKey is UZEJBKVHNACOSA-OTJUUTQSSA-N. The full InChI is InChI=1S/C42H25N5/c43-26-27-18-20-33-35(24-27)30-12-4-5-13-31(30)36-25-29(19-21-32(36)34-22-23-45(41(33)34)28-10-2-1-3-11-28)46-39-16-8-9-17-40(39)47-38-15-7-6-14-37(38)44-42(46)47/h1-25H/b34-32-,35-30-,36-31-,41-33+.

What are the key properties of 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile?

10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile has a molecular weight of 599.70 g/mol, XLogP of 10.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile is sourced from PubChem (CID 140932134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).