N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide

C21H23BrN6 — CID 139988569

About N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide

N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide (PubChem CID 139988569) has the molecular formula C21H23BrN6 and a molecular weight of 439.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
• PubChem CID: 139988569
• Molecular Formula: C21H23BrN6
• Molecular Weight: 439.36 g/mol
• Exact Mass: 438.12
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
• SMILES: Br.c1cnc2c(c1)CCCC2N(Cc1cnc[nH]1)Cc1nc2ccccc2[nH]1
• InChI: InChI=1S/C21H22N6.BrH/c1-2-8-18-17(7-1)25-20(26-18)13-27(12-16-11-22-14-24-16)19-9-3-5-15-6-4-10-23-21(15)19;/h1-2,4,6-8,10-11,14,19H,3,5,9,12-13H2,(H,22,24)(H,25,26);1H
• InChIKey: CWQHJBOMKCJGMO-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.36
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide (CID 139988569) is N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide is Br.c1cnc2c(c1)CCCC2N(Cc1cnc[nH]1)Cc1nc2ccccc2[nH]1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide?

The InChIKey is CWQHJBOMKCJGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6.BrH/c1-2-8-18-17(7-1)25-20(26-18)13-27(12-16-11-22-14-24-16)19-9-3-5-15-6-4-10-23-21(15)19;/h1-2,4,6-8,10-11,14,19H,3,5,9,12-13H2,(H,22,24)(H,25,26);1H.

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide?

N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide has a molecular weight of 439.36 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide is sourced from PubChem (CID 139988569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).