N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide

C32H34N6O2 — CID 166083875

About N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide

N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 166083875) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 166083875
• Molecular Formula: C32H34N6O2
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.27
• IUPAC Name: N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1cccnc1CNC(=O)c1coc(CCNCCc2nc3ccc(-c4ccc5c(c4)CCCC5)cc3[nH]2)n1
• InChI: InChI=1S/C32H34N6O2/c1-21-5-4-14-34-28(21)19-35-32(39)29-20-40-31(38-29)13-16-33-15-12-30-36-26-11-10-25(18-27(26)37-30)24-9-8-22-6-2-3-7-23(22)17-24/h4-5,8-11,14,17-18,20,33H,2-3,6-7,12-13,15-16,19H2,1H3,(H,35,39)(H,36,37)
• InChIKey: UCGSCIPKOKMQIR-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 108.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide (CID 166083875) is N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide is Cc1cccnc1CNC(=O)c1coc(CCNCCc2nc3ccc(-c4ccc5c(c4)CCCC5)cc3[nH]2)n1.

What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is UCGSCIPKOKMQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c1-21-5-4-14-34-28(21)19-35-32(39)29-20-40-31(38-29)13-16-33-15-12-30-36-26-11-10-25(18-27(26)37-30)24-9-8-22-6-2-3-7-23(22)17-24/h4-5,8-11,14,17-18,20,33H,2-3,6-7,12-13,15-16,19H2,1H3,(H,35,39)(H,36,37).

What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide?

N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 5.10, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methyl-2-pyridinyl)methyl]-2-[2-[2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166083875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).