N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C32H34N6 — CID 22018625

About N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 22018625) has the molecular formula C32H34N6 and a molecular weight of 502.67 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 22018625
• Molecular Formula: C32H34N6
• Molecular Weight: 502.67 g/mol
• Exact Mass: 502.28
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: Cc1ncccc1CNCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1
• InChI: InChI=1S/C32H34N6/c1-23-27(9-6-17-34-23)20-33-19-24-13-15-25(16-14-24)21-38(22-31-36-28-10-2-3-11-29(28)37-31)30-12-4-7-26-8-5-18-35-32(26)30/h2-3,5-6,8-11,13-18,30,33H,4,7,12,19-22H2,1H3,(H,36,37)
• InChIKey: LZNXQXHAQLCBMD-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.67
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 22018625) is N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Cc1ncccc1CNCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

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

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 502.67 g/mol, XLogP of 6.03, 9 rotatable bonds, 2 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-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 22018625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).