6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C32H22N4 — CID 176782995

About 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 176782995) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 176782995
• Molecular Formula: C32H22N4
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.18
• IUPAC Name: 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: Cn1c(-c2ccc3c(c2)[nH]c2ccc4c(c5ccccc5n4-c4ccccc4)c23)nc2ccccc21
• InChI: InChI=1S/C32H22N4/c1-35-28-14-8-6-12-24(28)34-32(35)20-15-16-22-26(19-20)33-25-17-18-29-31(30(22)25)23-11-5-7-13-27(23)36(29)21-9-3-2-4-10-21/h2-19,33H,1H3
• InChIKey: VIRXBJSKYXDPQP-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 38.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 176782995) is 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is Cn1c(-c2ccc3c(c2)[nH]c2ccc4c(c5ccccc5n4-c4ccccc4)c23)nc2ccccc21.

What is the InChIKey of 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is VIRXBJSKYXDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-35-28-14-8-6-12-24(28)34-32(35)20-15-16-22-26(19-20)33-25-17-18-29-31(30(22)25)23-11-5-7-13-27(23)36(29)21-9-3-2-4-10-21/h2-19,33H,1H3.

What are the key properties of 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 462.56 g/mol, XLogP of 7.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 176782995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).