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

C32H35BrN6 — CID 69328382

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

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide (PubChem CID 69328382) has the molecular formula C32H35BrN6 and a molecular weight of 583.58 g/mol. Its IUPAC name is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide.

Molecular Properties

• Compound Name: N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
• PubChem CID: 69328382
• Molecular Formula: C32H35BrN6
• Molecular Weight: 583.58 g/mol
• Exact Mass: 582.21
• IUPAC Name: N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
• SMILES: Br.Cc1cccc2[nH]c(CN(Cc3ccc(CNCc4ccccn4)cc3)C3CCCc4cccnc43)nc12
• InChI: InChI=1S/C32H34N6.BrH/c1-23-7-4-11-28-31(23)37-30(36-28)22-38(29-12-5-8-26-9-6-18-35-32(26)29)21-25-15-13-24(14-16-25)19-33-20-27-10-2-3-17-34-27;/h2-4,6-7,9-11,13-18,29,33H,5,8,12,19-22H2,1H3,(H,36,37);1H
• InChIKey: FBHSFKWQBNTBMX-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.58
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide (CID 69328382) is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide.

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

The canonical SMILES for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide is Br.Cc1cccc2[nH]c(CN(Cc3ccc(CNCc4ccccn4)cc3)C3CCCc4cccnc43)nc12.

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

The InChIKey is FBHSFKWQBNTBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6.BrH/c1-23-7-4-11-28-31(23)37-30(36-28)22-38(29-12-5-8-26-9-6-18-35-32(26)29)21-25-15-13-24(14-16-25)19-33-20-27-10-2-3-17-34-27;/h2-4,6-7,9-11,13-18,29,33H,5,8,12,19-22H2,1H3,(H,36,37);1H.

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

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide has a molecular weight of 583.58 g/mol, XLogP of 6.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide is sourced from PubChem (CID 69328382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).