N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

C26H24N8 — CID 136509534

About N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 136509534) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 136509534
• Molecular Formula: C26H24N8
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.21
• IUPAC Name: N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H24N8/c1-3-27-11-17-9-19(13-28-12-17)18-7-8-21-20(10-18)24(33-32-21)26-30-22-5-4-6-23(25(22)31-26)34-14-16(2)29-15-34/h4-10,12-15,27H,3,11H2,1-2H3,(H,30,31)(H,32,33)
• InChIKey: ZYHGPQPIKKBGSO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 100.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

The IUPAC name of N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 136509534) is N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

What is the SMILES notation for N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

The canonical SMILES for N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

The InChIKey is ZYHGPQPIKKBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8/c1-3-27-11-17-9-19(13-28-12-17)18-7-8-21-20(10-18)24(33-32-21)26-30-22-5-4-6-23(25(22)31-26)34-14-16(2)29-15-34/h4-10,12-15,27H,3,11H2,1-2H3,(H,30,31)(H,32,33).

What are the key properties of N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 448.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 136509534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).