N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C30H30N6 — CID 68973363

About N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 68973363) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 68973363
• Molecular Formula: C30H30N6
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.25
• IUPAC Name: N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: NC(c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1
• InChI: InChI=1S/C30H30N6/c31-29(26-11-3-4-17-32-26)22-15-13-21(14-16-22)19-36(20-28-34-24-9-1-2-10-25(24)35-28)27-12-5-7-23-8-6-18-33-30(23)27/h1-4,6,8-11,13-18,27,29H,5,7,12,19-20,31H2,(H,34,35)
• InChIKey: BMUCZIUSFBBITD-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 68973363) is N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NC(c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1.

What is the InChIKey of N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is BMUCZIUSFBBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6/c31-29(26-11-3-4-17-32-26)22-15-13-21(14-16-22)19-36(20-28-34-24-9-1-2-10-25(24)35-28)27-12-5-7-23-8-6-18-33-30(23)27/h1-4,6,8-11,13-18,27,29H,5,7,12,19-20,31H2,(H,34,35).

What are the key properties of N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 474.61 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 68973363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).