N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C23H25N5 — CID 163618921

About N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 163618921) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 163618921
• Molecular Formula: C23H25N5
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.21
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: C1=CC(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)CN=C1
• InChI: InChI=1S/C23H25N5/c1-2-10-20-19(9-1)26-22(27-20)16-28(15-17-6-4-12-24-14-17)21-11-3-7-18-8-5-13-25-23(18)21/h1-2,4-6,8-10,12-13,17,21H,3,7,11,14-16H2,(H,26,27)
• InChIKey: HMJYAVIVJXEPNU-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 163618921) is N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is C1=CC(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)CN=C1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is HMJYAVIVJXEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-2-10-20-19(9-1)26-22(27-20)16-28(15-17-6-4-12-24-14-17)21-11-3-7-18-8-5-13-25-23(18)21/h1-2,4-6,8-10,12-13,17,21H,3,7,11,14-16H2,(H,26,27).

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 371.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-(2,3-dihydropyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 163618921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).