N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C24H25N5 — CID 46204207

About N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 46204207) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 46204207
• Molecular Formula: C24H25N5
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.21
• IUPAC Name: N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: NCc1ccccc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
• InChI: InChI=1S/C24H25N5/c25-15-18-7-1-4-12-21(18)29(16-23-27-19-10-2-3-11-20(19)28-23)22-13-5-8-17-9-6-14-26-24(17)22/h1-4,6-7,9-12,14,22H,5,8,13,15-16,25H2,(H,27,28)
• InChIKey: HAGYKCDHRAMTCJ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 70.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 46204207) is N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

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

The canonical SMILES for N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1ccccc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.

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

The InChIKey is HAGYKCDHRAMTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c25-15-18-7-1-4-12-21(18)29(16-23-27-19-10-2-3-11-20(19)28-23)22-13-5-8-17-9-6-14-26-24(17)22/h1-4,6-7,9-12,14,22H,5,8,13,15-16,25H2,(H,27,28).

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

N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 383.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 46204207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).