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

C30H34BrN7 — CID 69328557

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

N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide (PubChem CID 69328557) has the molecular formula C30H34BrN7 and a molecular weight of 572.56 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
• PubChem CID: 69328557
• Molecular Formula: C30H34BrN7
• Molecular Weight: 572.56 g/mol
• Exact Mass: 571.21
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
• SMILES: Br.Cc1ncc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)[nH]1
• InChI: InChI=1S/C30H33N7.BrH/c1-21-33-18-25(34-21)17-31-16-22-11-13-23(14-12-22)19-37(20-29-35-26-8-2-3-9-27(26)36-29)28-10-4-6-24-7-5-15-32-30(24)28;/h2-3,5,7-9,11-15,18,28,31H,4,6,10,16-17,19-20H2,1H3,(H,33,34)(H,35,36);1H
• InChIKey: QNIHNMAFESSSMF-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 85.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.56
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide (CID 69328557) is N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide.

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

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide is Br.Cc1ncc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)[nH]1.

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

The InChIKey is QNIHNMAFESSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7.BrH/c1-21-33-18-25(34-21)17-31-16-22-11-13-23(14-12-22)19-37(20-29-35-26-8-2-3-9-27(26)36-29)28-10-4-6-24-7-5-15-32-30(24)28;/h2-3,5,7-9,11-15,18,28,31H,4,6,10,16-17,19-20H2,1H3,(H,33,34)(H,35,36);1H.

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

N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide has a molecular weight of 572.56 g/mol, XLogP of 5.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide is sourced from PubChem (CID 69328557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).